Fuzz introspector: fuzz_smart
For issues and ideas: https://github.com/ossf/fuzz-introspector/issues

Fuzz blockers

The following nodes represent call sites where fuzz blockers occur.

Amount of callsites blocked Calltree index Parent function Callsite Largest blocked function
3476 0 EP call site: 00000 __cxx_global_var_init

Fuzzer calltree

0 LLVMFuzzerTestOneInput [function] [call site] 00000
1 OpenBabel::OBMessageHandler::StopLogging() [function] [call site] 00001
1 OpenBabel::OBMol::OBMol() [function] [call site] 00002
2 OpenBabel::OBBase::OBBase() [function] [call site] 00003
2 OpenBabel::OBBase::~OBBase() [function] [call site] 00004
1 OpenBabel::OBConversion::OBConversion(std::__1::basic_istream<char, std::__1::char_traits<char> >*, std::__1::basic_ostream<char, std::__1::char_traits<char> >*) [function] [call site] 00005
2 OpenBabel::OBConversion::SetInStream(std::__1::basic_istream<char, std::__1::char_traits<char> >*, bool) [function] [call site] 00006
3 OpenBabel::OBConversion::IsOption(char const*, OpenBabel::OBConversion::Option_type) [function] [call site] 00007
3 zlib_stream::basic_zip_istream<char, std::__1::char_traits<char> >::basic_zip_istream(std::__1::basic_istream<char, std::__1::char_traits<char> >&, int, unsigned long, unsigned long) [function] [call site] 00008
4 zlib_stream::basic_unzip_streambuf<char, std::__1::char_traits<char> >::basic_unzip_streambuf(std::__1::basic_istream<char, std::__1::char_traits<char> >&, int, unsigned long, unsigned long) [function] [call site] 00009
5 zlib_stream::basic_unzip_streambuf<char, std::__1::char_traits<char> >::initialize(int) [function] [call site] 00010
6 inflateInit2_ [call site] 00011
4 zlib_stream::basic_unzip_streambuf<char, std::__1::char_traits<char> >::get_zerr() const [function] [call site] 00012
4 zlib_stream::basic_unzip_streambuf<char, std::__1::char_traits<char> >::check_header() [function] [call site] 00013
5 zlib_stream::basic_unzip_streambuf<char, std::__1::char_traits<char> >::get_zip_stream() [function] [call site] 00014
5 zlib_stream::basic_unzip_streambuf<char, std::__1::char_traits<char> >::get_istream() [function] [call site] 00015
5 zlib_stream::basic_unzip_streambuf<char, std::__1::char_traits<char> >::get_istream() [function] [call site] 00016
5 zlib_stream::basic_unzip_streambuf<char, std::__1::char_traits<char> >::get_istream() [function] [call site] 00017
5 zlib_stream::basic_unzip_streambuf<char, std::__1::char_traits<char> >::get_istream() [function] [call site] 00018
5 zlib_stream::basic_unzip_streambuf<char, std::__1::char_traits<char> >::get_istream() [function] [call site] 00019
5 zlib_stream::basic_unzip_streambuf<char, std::__1::char_traits<char> >::get_istream() [function] [call site] 00020
5 zlib_stream::basic_unzip_streambuf<char, std::__1::char_traits<char> >::get_istream() [function] [call site] 00021
5 zlib_stream::basic_unzip_streambuf<char, std::__1::char_traits<char> >::get_istream() [function] [call site] 00022
5 zlib_stream::basic_unzip_streambuf<char, std::__1::char_traits<char> >::get_istream() [function] [call site] 00023
5 zlib_stream::basic_unzip_streambuf<char, std::__1::char_traits<char> >::get_istream() [function] [call site] 00024
5 zlib_stream::basic_unzip_streambuf<char, std::__1::char_traits<char> >::get_istream() [function] [call site] 00025
5 zlib_stream::basic_unzip_streambuf<char, std::__1::char_traits<char> >::get_istream() [function] [call site] 00026
5 zlib_stream::basic_unzip_streambuf<char, std::__1::char_traits<char> >::get_istream() [function] [call site] 00027
4 zlib_stream::basic_unzip_streambuf<char, std::__1::char_traits<char> >::~basic_unzip_streambuf() [function] [call site] 00028
5 inflateEnd [call site] 00029
5 __clang_call_terminate [call site] 00030
6 __cxa_begin_catch [call site] 00031
3 OpenBabel::FilteringInputStream<OpenBabel::LineEndingExtractor>::FilteringInputStream(std::__1::basic_istream<char, std::__1::char_traits<char> >&) [function] [call site] 00032
4 OpenBabel::FilteringInputStreambuf<OpenBabel::LineEndingExtractor>::FilteringInputStreambuf(std::__1::basic_istream<char, std::__1::char_traits<char> >*) [function] [call site] 00033
2 OpenBabel::OBConversion::SetOutStream(std::__1::basic_ostream<char, std::__1::char_traits<char> >*, bool) [function] [call site] 00034
3 OpenBabel::OBConversion::IsOption(char const*, OpenBabel::OBConversion::Option_type) [function] [call site] 00035
3 zlib_stream::basic_zip_ostream<char, std::__1::char_traits<char> >::basic_zip_ostream(std::__1::basic_ostream<char, std::__1::char_traits<char> >&, bool, int, zlib_stream::EStrategy, int, int, unsigned long) [function] [call site] 00036
4 zlib_stream::basic_zip_streambuf<char, std::__1::char_traits<char> >::basic_zip_streambuf(std::__1::basic_ostream<char, std::__1::char_traits<char> >&, int, zlib_stream::EStrategy, int, int, unsigned long) [function] [call site] 00037
5 deflateInit2_ [call site] 00038
4 zlib_stream::basic_zip_ostream<char, std::__1::char_traits<char> >::add_header() [function] [call site] 00039
5 zlib_stream::basic_zip_streambuf<char, std::__1::char_traits<char> >::get_ostream() const [function] [call site] 00040
4 zlib_stream::basic_zip_streambuf<char, std::__1::char_traits<char> >::~basic_zip_streambuf() [function] [call site] 00041
5 zlib_stream::basic_zip_streambuf<char, std::__1::char_traits<char> >::flush() [function] [call site] 00042
6 crc32 [call site] 00043
6 deflate [call site] 00044
5 deflateEnd [call site] 00045
5 __clang_call_terminate [call site] 00046
2 OpenBabel::OBConversion::RegisterOptionParam(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> >, OpenBabel::OBFormat*, int, OpenBabel::OBConversion::Option_type) [function] [call site] 00047
3 OpenBabel::OBConversion::OptionParamArray(OpenBabel::OBConversion::Option_type) [function] [call site] 00048
4 __cxa_guard_acquire [call site] 00049
4 __cxa_atexit [call site] 00050
4 __cxx_global_array_dtor [function] [call site] 00051
4 __cxa_guard_release [call site] 00052
3 OpenBabel::OBConversion::OptionParamArray(OpenBabel::OBConversion::Option_type) [function] [call site] 00053
3 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00054
4 OpenBabel::OBError::OBError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel) [function] [call site] 00055
4 OpenBabel::OBError::OBError(OpenBabel::OBError const&) [function] [call site] 00056
4 OpenBabel::OBMessageHandler::ThrowError(OpenBabel::OBError, OpenBabel::errorQualifier) [function] [call site] 00057
5 OpenBabel::OBError::GetLevel() const [function] [call site] 00058
5 OpenBabel::operator<<(std::__1::basic_ostream<char, std::__1::char_traits<char> >&, OpenBabel::OBError const&) [function] [call site] 00059
6 OpenBabel::OBError::message() const [function] [call site] 00060
5 OpenBabel::OBError::GetLevel() const [function] [call site] 00061
4 OpenBabel::OBError::~OBError() [function] [call site] 00062
4 OpenBabel::OBError::~OBError() [function] [call site] 00063
3 OpenBabel::OBConversion::OptionParamArray(OpenBabel::OBConversion::Option_type) [function] [call site] 00064
2 OpenBabel::OBConversion::RegisterOptionParam(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> >, OpenBabel::OBFormat*, int, OpenBabel::OBConversion::Option_type) [function] [call site] 00065
1 OpenBabel::OBConversion::SetInFormat(char const*, bool) [function] [call site] 00066
2 OpenBabel::OBConversion::FindFormat(char const*) [function] [call site] 00067
3 OpenBabel::OBFormat::FindType(char const*) [function] [call site] 00068
4 OpenBabel::OBFormat::Default() [function] [call site] 00069
4 OpenBabel::OBFormat::Map() [function] [call site] 00070
5 __cxa_guard_acquire [call site] 00071
5 __cxa_atexit [call site] 00072
5 __cxa_guard_release [call site] 00073
4 OpenBabel::OBPlugin::BaseFindType(std::__1::map<char const*, OpenBabel::OBPlugin*, OpenBabel::CharPtrLess, std::__1::allocator<std::__1::pair<char const* const, OpenBabel::OBPlugin*> > >&, char const*) [function] [call site] 00074
5 OpenBabel::OBPlugin::LoadAllPlugins() [function] [call site] 00075
6 OpenBabel::OBPlugin::GetPlugin(char const*, char const*) [function] [call site] 00076
7 OpenBabel::OBPlugin::GetTypeMap(char const*) [function] [call site] 00077
8 OpenBabel::OBPlugin::LoadAllPlugins() [function] [call site] 00078
9 __cxa_guard_acquire [call site] 00079
9 __cxa_atexit [call site] 00080
9 __cxa_guard_release [call site] 00081
9 __cxa_guard_abort [call site] 00082
8 OpenBabel::OBPlugin::PluginMap() [function] [call site] 00083
9 __cxa_guard_acquire [call site] 00084
9 __cxa_atexit [call site] 00085
9 __cxa_guard_release [call site] 00086
8 OpenBabel::OBPlugin::PluginMap() [function] [call site] 00087
8 OpenBabel::OBPlugin::PluginMap() [function] [call site] 00088
7 OpenBabel::OBPlugin::BaseFindType(std::__1::map<char const*, OpenBabel::OBPlugin*, OpenBabel::CharPtrLess, std::__1::allocator<std::__1::pair<char const* const, OpenBabel::OBPlugin*> > >&, char const*) [function] [call site] 00089
7 OpenBabel::OBPlugin::LoadAllPlugins() [function] [call site] 00090
7 OpenBabel::OBPlugin::PluginMap() [function] [call site] 00091
7 OpenBabel::OBPlugin::BaseFindType(std::__1::map<char const*, OpenBabel::OBPlugin*, OpenBabel::CharPtrLess, std::__1::allocator<std::__1::pair<char const* const, OpenBabel::OBPlugin*> > >&, char const*) [function] [call site] 00092
1 OpenBabel::OBConversion::ReadString(OpenBabel::OBBase*, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> >) [function] [call site] 00093
2 OpenBabel::OBConversion::SetInStream(std::__1::basic_istream<char, std::__1::char_traits<char> >*, bool) [function] [call site] 00094
2 OpenBabel::OBConversion::Read(OpenBabel::OBBase*, std::__1::basic_istream<char, std::__1::char_traits<char> >*) [function] [call site] 00095
3 zlib_stream::isGZip(std::__1::basic_istream<char, std::__1::char_traits<char> >&) [function] [call site] 00096
3 OpenBabel::OBConversion::SetInStream(std::__1::basic_istream<char, std::__1::char_traits<char> >*, bool) [function] [call site] 00097
3 OpenBabel::OBLocale::SetLocale() [function] [call site] 00098
4 setlocale [call site] 00099
4 strdup [call site] 00100
4 setlocale [call site] 00101
3 OpenBabel::OBConversion::SetStartAndEnd() [function] [call site] 00102
4 OpenBabel::OBConversion::IsOption(char const*, OpenBabel::OBConversion::Option_type) [function] [call site] 00103
4 atoi [call site] 00104
4 OpenBabel::OBConversion::IsOption(char const*, OpenBabel::OBConversion::Option_type) [function] [call site] 00105
4 atoi [call site] 00106
3 OpenBabel::OBLocale::RestoreLocale() [function] [call site] 00107
4 setlocale [call site] 00108
3 __dynamic_cast [call site] 00109
1 OpenBabel::OBSmartsPattern::OBSmartsPattern() [function] [call site] 00110
1 OpenBabel::OBSmartsPattern::Init(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&) [function] [call site] 00111
2 strcpy [call site] 00112
2 OpenBabel::FreePattern(OpenBabel::Pattern*) [function] [call site] 00113
3 OpenBabel::FreeAtomExpr(OpenBabel::_AtomExpr*) [function] [call site] 00114
4 OpenBabel::FreeAtomExpr(OpenBabel::_AtomExpr*) [function] [call site] 00115
5 OpenBabel::FreeAtomExpr(OpenBabel::_AtomExpr*) [function] [call site] 00116
6 OpenBabel::FreeAtomExpr(OpenBabel::_AtomExpr*) [function] [call site] 00117
7 OpenBabel::FreePattern(OpenBabel::Pattern*) [function] [call site] 00118
8 OpenBabel::AtomSpec::~AtomSpec() [function] [call site] 00119
8 OpenBabel::FreeBondExpr(OpenBabel::_BondExpr*) [function] [call site] 00120
9 OpenBabel::FreeBondExpr(OpenBabel::_BondExpr*) [function] [call site] 00121
10 OpenBabel::FreeBondExpr(OpenBabel::_BondExpr*) [function] [call site] 00122
2 OpenBabel::OBSmartsPattern::ParseSMARTSRecord(char*) [function] [call site] 00123
3 isspace [call site] 00124
3 isspace [call site] 00125
3 OpenBabel::OBSmartsPattern::ParseSMARTSString(char*) [function] [call site] 00126
4 OpenBabel::OBSmartsPattern::ParseSMARTSPattern() [function] [call site] 00127
5 OpenBabel::AllocPattern() [function] [call site] 00128
5 OpenBabel::OBSmartsPattern::ParseSMARTSPart(OpenBabel::Pattern*, int) [function] [call site] 00129
6 OpenBabel::OBSmartsPattern::SMARTSParser(OpenBabel::Pattern*, OpenBabel::ParseState*, int, int, int) [function] [call site] 00130
7 OpenBabel::OBSmartsPattern::ParseSMARTSError(OpenBabel::Pattern*, OpenBabel::_BondExpr*) [function] [call site] 00131
8 OpenBabel::FreeBondExpr(OpenBabel::_BondExpr*) [function] [call site] 00132
8 OpenBabel::OBSmartsPattern::SMARTSError(OpenBabel::Pattern*) [function] [call site] 00133
9 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00134
9 OpenBabel::FreePattern(OpenBabel::Pattern*) [function] [call site] 00135
7 OpenBabel::OBSmartsPattern::ParseSMARTSError(OpenBabel::Pattern*, OpenBabel::_BondExpr*) [function] [call site] 00136
7 OpenBabel::OBSmartsPattern::ParseSMARTSError(OpenBabel::Pattern*, OpenBabel::_BondExpr*) [function] [call site] 00137
7 OpenBabel::OBSmartsPattern::ParseBondExpr(int) [function] [call site] 00138
8 OpenBabel::OBSmartsPattern::ParseBondExpr(int) [function] [call site] 00139
9 OpenBabel::OBSmartsPattern::ParseBondExpr(int) [function] [call site] 00140
10 OpenBabel::FreeBondExpr(OpenBabel::_BondExpr*) [function] [call site] 00141
10 OpenBabel::BuildBondBin(int, OpenBabel::_BondExpr*, OpenBabel::_BondExpr*) [function] [call site] 00142
10 OpenBabel::OBSmartsPattern::ParseBondExpr(int) [function] [call site] 00143
11 OpenBabel::OBSmartsPattern::ParseBondExpr(int) [function] [call site] 00144
12 OpenBabel::FreeBondExpr(OpenBabel::_BondExpr*) [function] [call site] 00145
12 OpenBabel::BuildBondBin(int, OpenBabel::_BondExpr*, OpenBabel::_BondExpr*) [function] [call site] 00146
12 OpenBabel::OBSmartsPattern::ParseBondExpr(int) [function] [call site] 00147
13 OpenBabel::OBSmartsPattern::ParseBondExpr(int) [function] [call site] 00148
14 OpenBabel::FreeBondExpr(OpenBabel::_BondExpr*) [function] [call site] 00149
14 OpenBabel::BuildBondBin(int, OpenBabel::_BondExpr*, OpenBabel::_BondExpr*) [function] [call site] 00150
14 OpenBabel::OBSmartsPattern::ParseBondExpr(int) [function] [call site] 00151
15 OpenBabel::BuildBondNot(OpenBabel::_BondExpr*) [function] [call site] 00152
15 OpenBabel::OBSmartsPattern::ParseBondPrimitive() [function] [call site] 00153
16 OpenBabel::BuildBondLeaf(int) [function] [call site] 00154
16 OpenBabel::BuildBondLeaf(int) [function] [call site] 00155
16 OpenBabel::BuildBondLeaf(int) [function] [call site] 00156
16 OpenBabel::BuildBondLeaf(int) [function] [call site] 00157
16 OpenBabel::BuildBondLeaf(int) [function] [call site] 00158
16 OpenBabel::BuildBondLeaf(int) [function] [call site] 00159
16 OpenBabel::BuildBondLeaf(int) [function] [call site] 00160
16 OpenBabel::BuildBondLeaf(int) [function] [call site] 00161
16 OpenBabel::BuildBondLeaf(int) [function] [call site] 00162
7 OpenBabel::OBSmartsPattern::ParseSMARTSError(OpenBabel::Pattern*, OpenBabel::_BondExpr*) [function] [call site] 00163
7 OpenBabel::OBSmartsPattern::ParseSMARTSError(OpenBabel::Pattern*, OpenBabel::_BondExpr*) [function] [call site] 00164
7 OpenBabel::OBSmartsPattern::SMARTSParser(OpenBabel::Pattern*, OpenBabel::ParseState*, int, int, int) [function] [call site] 00165
8 OpenBabel::OBSmartsPattern::ParseSMARTSError(OpenBabel::Pattern*, OpenBabel::_BondExpr*) [function] [call site] 00166
8 OpenBabel::OBSmartsPattern::SMARTSParser(OpenBabel::Pattern*, OpenBabel::ParseState*, int, int, int) [function] [call site] 00167
9 OpenBabel::OBSmartsPattern::ParseSMARTSError(OpenBabel::Pattern*, OpenBabel::_BondExpr*) [function] [call site] 00168
9 OpenBabel::OBSmartsPattern::ParseSMARTSError(OpenBabel::Pattern*, OpenBabel::_BondExpr*) [function] [call site] 00169
9 OpenBabel::OBSmartsPattern::ParseSMARTSError(OpenBabel::Pattern*, OpenBabel::_BondExpr*) [function] [call site] 00170
9 OpenBabel::OBSmartsPattern::ParseSMARTSError(OpenBabel::Pattern*, OpenBabel::_BondExpr*) [function] [call site] 00171
9 OpenBabel::GenerateDefaultBond() [function] [call site] 00172
10 OpenBabel::BuildBondLeaf(int) [function] [call site] 00173
9 OpenBabel::EquivalentBondExpr(OpenBabel::_BondExpr*, OpenBabel::_BondExpr*) [function] [call site] 00174
10 OpenBabel::EquivalentBondExpr(OpenBabel::_BondExpr*, OpenBabel::_BondExpr*) [function] [call site] 00175
9 OpenBabel::OBSmartsPattern::ParseSMARTSError(OpenBabel::Pattern*, OpenBabel::_BondExpr*) [function] [call site] 00176
9 OpenBabel::FreeBondExpr(OpenBabel::_BondExpr*) [function] [call site] 00177
9 OpenBabel::CreateBond(OpenBabel::Pattern*, OpenBabel::_BondExpr*, int, int) [function] [call site] 00178
10 OpenBabel::FatalAllocationError(char const*) [function] [call site] 00179
11 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00180
9 OpenBabel::OBSmartsPattern::ParseSMARTSError(OpenBabel::Pattern*, OpenBabel::_BondExpr*) [function] [call site] 00181
9 OpenBabel::OBSmartsPattern::ParseSMARTSError(OpenBabel::Pattern*, OpenBabel::_BondExpr*) [function] [call site] 00182
9 OpenBabel::GenerateDefaultBond() [function] [call site] 00183
9 OpenBabel::EquivalentBondExpr(OpenBabel::_BondExpr*, OpenBabel::_BondExpr*) [function] [call site] 00184
9 OpenBabel::OBSmartsPattern::ParseSMARTSError(OpenBabel::Pattern*, OpenBabel::_BondExpr*) [function] [call site] 00185
9 OpenBabel::FreeBondExpr(OpenBabel::_BondExpr*) [function] [call site] 00186
9 OpenBabel::CreateBond(OpenBabel::Pattern*, OpenBabel::_BondExpr*, int, int) [function] [call site] 00187
9 OpenBabel::OBSmartsPattern::ParseSMARTSError(OpenBabel::Pattern*, OpenBabel::_BondExpr*) [function] [call site] 00188
9 OpenBabel::GenerateElement(int) [function] [call site] 00189
10 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00190
9 OpenBabel::OBSmartsPattern::ParseAtomExpr(int) [function] [call site] 00191
10 OpenBabel::OBSmartsPattern::ParseAtomExpr(int) [function] [call site] 00192
11 OpenBabel::OBSmartsPattern::ParseAtomExpr(int) [function] [call site] 00193
12 OpenBabel::FreeAtomExpr(OpenBabel::_AtomExpr*) [function] [call site] 00194
12 OpenBabel::BuildAtomBin(int, OpenBabel::_AtomExpr*, OpenBabel::_AtomExpr*) [function] [call site] 00195
12 OpenBabel::OBSmartsPattern::ParseAtomExpr(int) [function] [call site] 00196
13 OpenBabel::OBSmartsPattern::ParseAtomExpr(int) [function] [call site] 00197
14 OpenBabel::FreeAtomExpr(OpenBabel::_AtomExpr*) [function] [call site] 00198
14 OpenBabel::BuildAtomBin(int, OpenBabel::_AtomExpr*, OpenBabel::_AtomExpr*) [function] [call site] 00199
14 OpenBabel::OBSmartsPattern::ParseAtomExpr(int) [function] [call site] 00200
15 OpenBabel::OBSmartsPattern::ParseAtomExpr(int) [function] [call site] 00201
16 OpenBabel::FreeAtomExpr(OpenBabel::_AtomExpr*) [function] [call site] 00202
16 OpenBabel::BuildAtomBin(int, OpenBabel::_AtomExpr*, OpenBabel::_AtomExpr*) [function] [call site] 00203
16 OpenBabel::OBSmartsPattern::ParseAtomExpr(int) [function] [call site] 00204
17 OpenBabel::BuildAtomNot(OpenBabel::_AtomExpr*) [function] [call site] 00205
17 OpenBabel::OBSmartsPattern::ParseComplexAtomPrimitive() [function] [call site] 00206
18 OpenBabel::ReadInt(char*&, int&) [function] [call site] 00207
18 OpenBabel::GenerateElement(int) [function] [call site] 00208
18 OpenBabel::OBSmartsPattern::ParseSMARTSPattern() [function] [call site] 00209
19 OpenBabel::OBSmartsPattern::SMARTSError(OpenBabel::Pattern*) [function] [call site] 00210
19 OpenBabel::OBSmartsPattern::SMARTSError(OpenBabel::Pattern*) [function] [call site] 00211
19 OpenBabel::OBSmartsPattern::ParseSMARTSPart(OpenBabel::Pattern*, int) [function] [call site] 00212
20 OpenBabel::FreeBondExpr(OpenBabel::_BondExpr*) [function] [call site] 00213
20 OpenBabel::OBSmartsPattern::SMARTSError(OpenBabel::Pattern*) [function] [call site] 00214
20 OpenBabel::MarkGrowBonds(OpenBabel::Pattern*) [function] [call site] 00215
21 OpenBabel::OBBitVec::OBBitVec() [function] [call site] 00216
21 OpenBabel::OBBitVec::operator[](int) const [function] [call site] 00217
22 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 00218
23 OpenBabel::OBBitVec::GetSize() const [function] [call site] 00219
21 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 00220
22 OpenBabel::OBBitVec::GetSize() const [function] [call site] 00221
22 OpenBabel::OBBitVec::ResizeWords(unsigned int) [function] [call site] 00222
21 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 00223
21 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 00224
20 OpenBabel::GetChiralFlag(OpenBabel::_AtomExpr*) [function] [call site] 00225
21 OpenBabel::GetChiralFlag(OpenBabel::_AtomExpr*) [function] [call site] 00226
22 OpenBabel::GetChiralFlag(OpenBabel::_AtomExpr*) [function] [call site] 00227
23 OpenBabel::GetChiralFlag(OpenBabel::_AtomExpr*) [function] [call site] 00228
24 OpenBabel::GetChiralFlag(OpenBabel::_AtomExpr*) [function] [call site] 00229
25 OpenBabel::GetChiralFlag(OpenBabel::_AtomExpr*) [function] [call site] 00230
18 OpenBabel::FreePattern(OpenBabel::Pattern*) [function] [call site] 00231
18 OpenBabel::BuildAtomRecurs(OpenBabel::Pattern*) [function] [call site] 00232
18 OpenBabel::BuildAtomPred(int) [function] [call site] 00233
18 OpenBabel::ReadInt(char*&, int&) [function] [call site] 00234
18 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00235
18 OpenBabel::ReadInt(char*&, int&) [function] [call site] 00236
18 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00237
18 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00238
18 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00239
18 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00240
18 OpenBabel::ReadInt(char*&, int&) [function] [call site] 00241
18 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00242
18 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00243
18 OpenBabel::ReadInt(char*&, int&) [function] [call site] 00244
18 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00245
18 OpenBabel::GenerateElement(int) [function] [call site] 00246
18 OpenBabel::GenerateElement(int) [function] [call site] 00247
18 OpenBabel::GenerateElement(int) [function] [call site] 00248
18 OpenBabel::GenerateElement(int) [function] [call site] 00249
18 OpenBabel::GenerateElement(int) [function] [call site] 00250
18 OpenBabel::GenerateElement(int) [function] [call site] 00251
18 OpenBabel::GenerateElement(int) [function] [call site] 00252
18 OpenBabel::GenerateElement(int) [function] [call site] 00253
18 OpenBabel::BuildAtomPred(int) [function] [call site] 00254
18 OpenBabel::GenerateElement(int) [function] [call site] 00255
18 OpenBabel::GenerateElement(int) [function] [call site] 00256
18 OpenBabel::GenerateElement(int) [function] [call site] 00257
18 OpenBabel::GenerateElement(int) [function] [call site] 00258
18 OpenBabel::GenerateElement(int) [function] [call site] 00259
18 OpenBabel::GenerateElement(int) [function] [call site] 00260
18 OpenBabel::GenerateElement(int) [function] [call site] 00261
18 OpenBabel::GenerateElement(int) [function] [call site] 00262
18 OpenBabel::GenerateElement(int) [function] [call site] 00263
18 OpenBabel::GenerateElement(int) [function] [call site] 00264
18 OpenBabel::GenerateElement(int) [function] [call site] 00265
18 OpenBabel::GenerateElement(int) [function] [call site] 00266
18 OpenBabel::GenerateElement(int) [function] [call site] 00267
18 OpenBabel::GenerateElement(int) [function] [call site] 00268
18 OpenBabel::GenerateElement(int) [function] [call site] 00269
18 OpenBabel::GenerateElement(int) [function] [call site] 00270
18 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00271
19 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00272
18 OpenBabel::GenerateElement(int) [function] [call site] 00273
18 OpenBabel::ReadInt(char*&, int&) [function] [call site] 00274
18 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00275
18 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00276
18 OpenBabel::GenerateElement(int) [function] [call site] 00277
18 OpenBabel::GenerateElement(int) [function] [call site] 00278
18 OpenBabel::GenerateElement(int) [function] [call site] 00279
18 OpenBabel::GenerateElement(int) [function] [call site] 00280
18 OpenBabel::GenerateElement(int) [function] [call site] 00281
18 OpenBabel::GenerateElement(int) [function] [call site] 00282
18 OpenBabel::GenerateElement(int) [function] [call site] 00283
18 OpenBabel::GenerateElement(int) [function] [call site] 00284
18 OpenBabel::GenerateElement(int) [function] [call site] 00285
18 OpenBabel::GenerateElement(int) [function] [call site] 00286
18 OpenBabel::GenerateElement(int) [function] [call site] 00287
18 OpenBabel::GenerateElement(int) [function] [call site] 00288
18 OpenBabel::GenerateElement(int) [function] [call site] 00289
18 OpenBabel::GenerateElement(int) [function] [call site] 00290
18 OpenBabel::ReadInt(char*&, int&) [function] [call site] 00291
18 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00292
18 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00293
18 OpenBabel::GenerateElement(int) [function] [call site] 00294
18 OpenBabel::GenerateElement(int) [function] [call site] 00295
18 OpenBabel::GenerateElement(int) [function] [call site] 00296
18 OpenBabel::GenerateElement(int) [function] [call site] 00297
18 OpenBabel::GenerateElement(int) [function] [call site] 00298
18 OpenBabel::GenerateElement(int) [function] [call site] 00299
18 OpenBabel::GenerateElement(int) [function] [call site] 00300
18 OpenBabel::GenerateElement(int) [function] [call site] 00301
18 OpenBabel::GenerateElement(int) [function] [call site] 00302
18 OpenBabel::GenerateElement(int) [function] [call site] 00303
18 OpenBabel::GenerateElement(int) [function] [call site] 00304
18 OpenBabel::GenerateElement(int) [function] [call site] 00305
18 OpenBabel::GenerateElement(int) [function] [call site] 00306
18 OpenBabel::GenerateElement(int) [function] [call site] 00307
18 OpenBabel::GenerateElement(int) [function] [call site] 00308
18 OpenBabel::GenerateElement(int) [function] [call site] 00309
18 OpenBabel::GenerateElement(int) [function] [call site] 00310
18 OpenBabel::GenerateElement(int) [function] [call site] 00311
18 OpenBabel::GenerateElement(int) [function] [call site] 00312
18 OpenBabel::GenerateElement(int) [function] [call site] 00313
18 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00314
18 OpenBabel::GenerateElement(int) [function] [call site] 00315
18 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00316
18 OpenBabel::GenerateElement(int) [function] [call site] 00317
18 OpenBabel::GenerateElement(int) [function] [call site] 00318
18 OpenBabel::GenerateElement(int) [function] [call site] 00319
18 OpenBabel::GenerateElement(int) [function] [call site] 00320
18 OpenBabel::GenerateElement(int) [function] [call site] 00321
18 OpenBabel::GenerateElement(int) [function] [call site] 00322
18 OpenBabel::GenerateElement(int) [function] [call site] 00323
18 OpenBabel::GenerateElement(int) [function] [call site] 00324
18 OpenBabel::GenerateElement(int) [function] [call site] 00325
18 OpenBabel::GenerateElement(int) [function] [call site] 00326
18 OpenBabel::GenerateElement(int) [function] [call site] 00327
18 OpenBabel::GenerateElement(int) [function] [call site] 00328
18 OpenBabel::GenerateElement(int) [function] [call site] 00329
18 OpenBabel::GenerateElement(int) [function] [call site] 00330
18 OpenBabel::GenerateElement(int) [function] [call site] 00331
18 OpenBabel::ReadInt(char*&, int&) [function] [call site] 00332
18 OpenBabel::BuildAtomPred(int) [function] [call site] 00333
18 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00334
18 OpenBabel::BuildAtomPred(int) [function] [call site] 00335
18 OpenBabel::GenerateElement(int) [function] [call site] 00336
18 OpenBabel::GenerateElement(int) [function] [call site] 00337
18 OpenBabel::GenerateElement(int) [function] [call site] 00338
18 OpenBabel::GenerateElement(int) [function] [call site] 00339
18 OpenBabel::GenerateElement(int) [function] [call site] 00340
18 OpenBabel::GenerateElement(int) [function] [call site] 00341
18 OpenBabel::GenerateElement(int) [function] [call site] 00342
18 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00343
18 OpenBabel::GenerateElement(int) [function] [call site] 00344
18 OpenBabel::GenerateElement(int) [function] [call site] 00345
18 OpenBabel::GenerateElement(int) [function] [call site] 00346
18 OpenBabel::GenerateElement(int) [function] [call site] 00347
18 OpenBabel::GenerateElement(int) [function] [call site] 00348
18 OpenBabel::GenerateElement(int) [function] [call site] 00349
18 OpenBabel::GenerateElement(int) [function] [call site] 00350
18 OpenBabel::GenerateElement(int) [function] [call site] 00351
18 OpenBabel::GenerateElement(int) [function] [call site] 00352
18 OpenBabel::GenerateElement(int) [function] [call site] 00353
18 OpenBabel::GenerateElement(int) [function] [call site] 00354
18 OpenBabel::GenerateElement(int) [function] [call site] 00355
18 OpenBabel::ReadInt(char*&, int&) [function] [call site] 00356
18 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00357
18 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00358
18 OpenBabel::GenerateElement(int) [function] [call site] 00359
18 OpenBabel::GenerateElement(int) [function] [call site] 00360
18 OpenBabel::GenerateElement(int) [function] [call site] 00361
18 OpenBabel::GenerateElement(int) [function] [call site] 00362
18 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00363
18 OpenBabel::BuildAtomPred(int) [function] [call site] 00364
18 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00365
18 OpenBabel::ReadInt(char*&, int&) [function] [call site] 00366
18 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00367
18 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00368
18 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00369
18 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00370
18 OpenBabel::ReadInt(char*&, int&) [function] [call site] 00371
18 OpenBabel::BuildAtomPred(int) [function] [call site] 00372
18 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00373
18 OpenBabel::BuildAtomPred(int) [function] [call site] 00374
18 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00375
18 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00376
18 OpenBabel::ReadInt(char*&, int&) [function] [call site] 00377
18 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00378
18 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00379
18 OpenBabel::ReadInt(char*&, int&) [function] [call site] 00380
18 OpenBabel::BuildAtomLeaf(int, int) [function] [call site] 00381
18 OpenBabel::BuildAtomPred(int) [function] [call site] 00382
9 OpenBabel::OBSmartsPattern::GetVectorBinding() [function] [call site] 00383
10 OpenBabel::ReadInt(char*&, int&) [function] [call site] 00384
9 OpenBabel::FreeAtomExpr(OpenBabel::_AtomExpr*) [function] [call site] 00385
9 OpenBabel::OBSmartsPattern::ParseSMARTSError(OpenBabel::Pattern*, OpenBabel::_BondExpr*) [function] [call site] 00386
9 OpenBabel::CreateAtom(OpenBabel::Pattern*, OpenBabel::_AtomExpr*, int, int) [function] [call site] 00387
10 OpenBabel::AtomSpec::AtomSpec() [function] [call site] 00388
10 OpenBabel::AtomSpec::~AtomSpec() [function] [call site] 00389
10 OpenBabel::AtomSpec::AtomSpec() [function] [call site] 00390
10 OpenBabel::FatalAllocationError(char const*) [function] [call site] 00391
9 OpenBabel::GenerateDefaultBond() [function] [call site] 00392
9 OpenBabel::CreateBond(OpenBabel::Pattern*, OpenBabel::_BondExpr*, int, int) [function] [call site] 00393
9 OpenBabel::OBSmartsPattern::ParseSimpleAtomPrimitive() [function] [call site] 00394
10 OpenBabel::BuildAtomPred(int) [function] [call site] 00395
10 OpenBabel::BuildAtomPred(int) [function] [call site] 00396
10 OpenBabel::GenerateElement(int) [function] [call site] 00397
10 OpenBabel::GenerateElement(int) [function] [call site] 00398
10 OpenBabel::GenerateElement(int) [function] [call site] 00399
10 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00400
10 OpenBabel::GenerateElement(int) [function] [call site] 00401
10 OpenBabel::GenerateElement(int) [function] [call site] 00402
10 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00403
10 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00404
10 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00405
10 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00406
10 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00407
10 OpenBabel::BuildAtomPred(int) [function] [call site] 00408
10 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00409
10 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00410
10 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00411
10 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00412
10 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00413
10 OpenBabel::GenerateAromElem(int, int) [function] [call site] 00414
9 OpenBabel::OBSmartsPattern::ParseSMARTSError(OpenBabel::Pattern*, OpenBabel::_BondExpr*) [function] [call site] 00415
9 OpenBabel::CreateAtom(OpenBabel::Pattern*, OpenBabel::_AtomExpr*, int, int) [function] [call site] 00416
9 OpenBabel::GenerateDefaultBond() [function] [call site] 00417
9 OpenBabel::CreateBond(OpenBabel::Pattern*, OpenBabel::_BondExpr*, int, int) [function] [call site] 00418
9 OpenBabel::OBSmartsPattern::ParseSMARTSError(OpenBabel::Pattern*, OpenBabel::_BondExpr*) [function] [call site] 00419
4 OpenBabel::OBSmartsPattern::SMARTSError(OpenBabel::Pattern*) [function] [call site] 00420
1 OpenBabel::OBSmartsPattern::Match(OpenBabel::OBMol&, bool) [function] [call site] 00421
2 OpenBabel::OBSmartsMatcher::OBSmartsMatcher() [function] [call site] 00422
2 OpenBabel::OBMol::OBMol(OpenBabel::OBMol const&) [function] [call site] 00423
3 OpenBabel::OBBase::OBBase(OpenBabel::OBBase const&) [function] [call site] 00424
3 OpenBabel::OBMol::operator=(OpenBabel::OBMol const&) [function] [call site] 00425
4 OpenBabel::OBMol::NumAtoms() const [function] [call site] 00426
4 OpenBabel::OBMol::NumAtoms() const [function] [call site] 00427
4 OpenBabel::OBMol::NumBonds() const [function] [call site] 00428
4 OpenBabel::OBMol::NumBonds() const [function] [call site] 00429
4 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 00430
4 OpenBabel::OBMol::AddAtom(OpenBabel::OBAtom&, bool) [function] [call site] 00431
5 OpenBabel::OBAtom::GetId() const [function] [call site] 00432
5 OpenBabel::OBAtom::OBAtom() [function] [call site] 00433
6 OpenBabel::OBBase::OBBase() [function] [call site] 00434
6 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 00435
6 OpenBabel::vector3::~vector3() [function] [call site] 00436
6 OpenBabel::OBBase::~OBBase() [function] [call site] 00437
5 OpenBabel::OBAtom::operator=(OpenBabel::OBAtom&) [function] [call site] 00438
6 OpenBabel::OBAtom::GetIdx() const [function] [call site] 00439
6 OpenBabel::OBAtom::Duplicate(OpenBabel::OBAtom*) [function] [call site] 00440
7 strncpy [call site] 00441
7 OpenBabel::OBAtom::GetVector() [function] [call site] 00442
8 OpenBabel::vector3::Set(double, double, double) [function] [call site] 00443
7 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 00444
7 OpenBabel::OBBase::BeginData() [function] [call site] 00445
7 OpenBabel::OBBase::EndData() [function] [call site] 00446
7 OpenBabel::OBBase::SetData(OpenBabel::OBGenericData*) [function] [call site] 00447
5 OpenBabel::OBAtom::SetIdx(int) [function] [call site] 00448
5 OpenBabel::OBAtom::SetParent(OpenBabel::OBMol*) [function] [call site] 00449
5 OpenBabel::OBAtom::SetId(unsigned long) [function] [call site] 00450
5 OpenBabel::OBBase::HasData(unsigned int) [function] [call site] 00451
6 OpenBabel::OBGenericData::GetDataType() const [function] [call site] 00452
5 OpenBabel::OBBase::BeginData() [function] [call site] 00453
5 OpenBabel::OBBase::EndData() [function] [call site] 00454
5 OpenBabel::OBGenericData::GetDataType() const [function] [call site] 00455
5 OpenBabel::OBVirtualBond::GetBgn() [function] [call site] 00456
5 OpenBabel::OBVirtualBond::GetEnd() [function] [call site] 00457
5 OpenBabel::OBAtom::GetIdx() const [function] [call site] 00458
5 OpenBabel::OBVirtualBond::GetBgn() [function] [call site] 00459
5 OpenBabel::OBAtom::GetIdx() const [function] [call site] 00460
5 OpenBabel::OBVirtualBond::GetEnd() [function] [call site] 00461
5 OpenBabel::OBVirtualBond::GetBgn() [function] [call site] 00462
5 OpenBabel::OBVirtualBond::GetEnd() [function] [call site] 00463
5 OpenBabel::OBVirtualBond::GetOrder() [function] [call site] 00464
5 OpenBabel::OBMol::AddBond(int, int, int, int, int) [function] [call site] 00465
6 OpenBabel::OBMol::GetBond(int, int) const [function] [call site] 00466
7 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 00467
8 OpenBabel::OBMol::NumAtoms() const [function] [call site] 00468
8 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00469
7 OpenBabel::OBMol::GetBond(OpenBabel::OBAtom*, OpenBabel::OBAtom*) const [function] [call site] 00470
8 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00471
9 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 00472
8 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00473
9 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 00474
6 OpenBabel::OBMol::NumAtoms() const [function] [call site] 00475
6 OpenBabel::OBBond::OBBond() [function] [call site] 00476
7 OpenBabel::OBBase::OBBase() [function] [call site] 00477
6 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 00478
6 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 00479
6 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00480
6 OpenBabel::OBBond::Set(int, OpenBabel::OBAtom*, OpenBabel::OBAtom*, int, int) [function] [call site] 00481
7 OpenBabel::OBBond::SetIdx(int) [function] [call site] 00482
7 OpenBabel::OBBond::SetBegin(OpenBabel::OBAtom*) [function] [call site] 00483
7 OpenBabel::OBBond::SetEnd(OpenBabel::OBAtom*) [function] [call site] 00484
7 OpenBabel::OBBond::SetBondOrder(int) [function] [call site] 00485
7 OpenBabel::OBBond::SetFlag(int) [function] [call site] 00486
6 OpenBabel::OBBond::SetParent(OpenBabel::OBMol*) [function] [call site] 00487
6 OpenBabel::OBBond::SetId(unsigned long) [function] [call site] 00488
6 OpenBabel::OBAtom::AddBond(OpenBabel::OBBond*) [function] [call site] 00489
6 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 00490
6 OpenBabel::OBAtom::AddBond(OpenBabel::OBBond*) [function] [call site] 00491
6 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00492
6 OpenBabel::OBAtom::InsertBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&, OpenBabel::OBBond*) [function] [call site] 00493
6 OpenBabel::OBAtom::AddBond(OpenBabel::OBBond*) [function] [call site] 00494
6 OpenBabel::OBVirtualBond::OBVirtualBond(unsigned int, unsigned int, unsigned int, int) [function] [call site] 00495
7 OpenBabel::OBGenericData::OBGenericData(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> >, unsigned int, OpenBabel::DataOrigin) [function] [call site] 00496
6 OpenBabel::OBBase::SetData(OpenBabel::OBGenericData*) [function] [call site] 00497
5 OpenBabel::OBBase::DeleteData(std::__1::vector<OpenBabel::OBGenericData*, std::__1::allocator<OpenBabel::OBGenericData*> >&) [function] [call site] 00498
4 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 00499
4 OpenBabel::OBMol::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00500
4 OpenBabel::OBMol::AddBond(OpenBabel::OBBond&) [function] [call site] 00501
5 OpenBabel::OBBond::GetBeginAtomIdx() const [function] [call site] 00502
6 OpenBabel::OBAtom::GetIdx() const [function] [call site] 00503
5 OpenBabel::OBBond::GetEndAtomIdx() const [function] [call site] 00504
5 OpenBabel::OBBond::GetBondOrder() const [function] [call site] 00505
5 OpenBabel::OBBond::GetFlags() const [function] [call site] 00506
5 OpenBabel::OBMol::AddBond(int, int, int, int, int) [function] [call site] 00507
5 OpenBabel::OBBase::BeginData() [function] [call site] 00508
5 OpenBabel::OBBase::EndData() [function] [call site] 00509
5 OpenBabel::OBMol::NumBonds() const [function] [call site] 00510
5 OpenBabel::OBMol::GetBond(int) const [function] [call site] 00511
6 OpenBabel::OBMol::NumBonds() const [function] [call site] 00512
6 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00513
5 OpenBabel::OBBase::CloneData(OpenBabel::OBGenericData*) [function] [call site] 00514
4 OpenBabel::OBMol::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00515
4 OpenBabel::OBMol::GetEnergy() const [function] [call site] 00516
4 OpenBabel::OBMol::GetDimension() const [function] [call site] 00517
4 OpenBabel::OBMol::GetTotalCharge() [function] [call site] 00518
5 OpenBabel::OBMol::HasFlag(int) [function] [call site] 00519
5 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00520
5 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 00521
5 OpenBabel::OBAtom::GetFormalCharge() const [function] [call site] 00522
5 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 00523
4 OpenBabel::OBMol::SetTotalCharge(int) [function] [call site] 00524
5 OpenBabel::OBMol::SetFlag(int) [function] [call site] 00525
4 OpenBabel::OBMol::GetTotalSpinMultiplicity() [function] [call site] 00526
5 OpenBabel::OBMol::HasFlag(int) [function] [call site] 00527
5 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00528
5 OpenBabel::OBMol::GetTotalCharge() [function] [call site] 00529
5 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 00530
5 OpenBabel::OBAtom::GetSpinMultiplicity() const [function] [call site] 00531
5 OpenBabel::OBAtom::GetSpinMultiplicity() const [function] [call site] 00532
5 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 00533
5 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 00534
4 OpenBabel::OBMol::SetTotalSpinMultiplicity(unsigned int) [function] [call site] 00535
5 OpenBabel::OBMol::SetFlag(int) [function] [call site] 00536
4 OpenBabel::OBMol::HasFlag(int) [function] [call site] 00537
4 OpenBabel::OBMol::SetFlag(int) [function] [call site] 00538
4 OpenBabel::OBMol::HasFlag(int) [function] [call site] 00539
4 OpenBabel::OBMol::SetFlag(int) [function] [call site] 00540
4 OpenBabel::OBMol::HasFlag(int) [function] [call site] 00541
4 OpenBabel::OBMol::SetFlag(int) [function] [call site] 00542
4 OpenBabel::OBMol::HasFlag(int) [function] [call site] 00543
4 OpenBabel::OBMol::SetFlag(int) [function] [call site] 00544
4 OpenBabel::OBMol::HasFlag(int) [function] [call site] 00545
4 OpenBabel::OBMol::SetFlag(int) [function] [call site] 00546
4 OpenBabel::OBMol::HasFlag(int) [function] [call site] 00547
4 OpenBabel::OBMol::SetFlag(int) [function] [call site] 00548
4 OpenBabel::OBMol::HasFlag(int) [function] [call site] 00549
4 OpenBabel::OBMol::SetFlag(int) [function] [call site] 00550
4 OpenBabel::OBMol::HasFlag(int) [function] [call site] 00551
4 OpenBabel::OBMol::SetFlag(int) [function] [call site] 00552
4 OpenBabel::OBMol::NumResidues() const [function] [call site] 00553
4 OpenBabel::OBMol::NewResidue() [function] [call site] 00554
5 OpenBabel::OBResidue::OBResidue() [function] [call site] 00555
6 OpenBabel::OBBase::OBBase() [function] [call site] 00556
6 OpenBabel::OBBase::~OBBase() [function] [call site] 00557
5 OpenBabel::OBResidue::SetIdx(unsigned int) [function] [call site] 00558
4 OpenBabel::OBMol::GetResidue(int) const [function] [call site] 00559
5 OpenBabel::OBMol::NumResidues() const [function] [call site] 00560
5 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00561
4 OpenBabel::OBResidue::operator=(OpenBabel::OBResidue const&) [function] [call site] 00562
4 OpenBabel::OBResidue::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 00563
4 OpenBabel::OBAtom::GetIdx() const [function] [call site] 00564
4 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 00565
4 OpenBabel::OBResidue::AddAtom(OpenBabel::OBAtom*) [function] [call site] 00566
5 OpenBabel::OBAtom::SetResidue(OpenBabel::OBResidue*) [function] [call site] 00567
4 OpenBabel::OBResidue::GetAtomID(OpenBabel::OBAtom*) const [function] [call site] 00568
4 OpenBabel::OBResidue::SetAtomID(OpenBabel::OBAtom*, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&) [function] [call site] 00569
4 OpenBabel::OBResidue::IsHetAtom(OpenBabel::OBAtom*) const [function] [call site] 00570
4 OpenBabel::OBResidue::SetHetAtom(OpenBabel::OBAtom*, bool) [function] [call site] 00571
4 OpenBabel::OBResidue::GetSerialNum(OpenBabel::OBAtom*) const [function] [call site] 00572
4 OpenBabel::OBResidue::SetSerialNum(OpenBabel::OBAtom*, unsigned int) [function] [call site] 00573
4 OpenBabel::OBResidue::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 00574
4 OpenBabel::OBMol::NumConformers() [function] [call site] 00575
4 OpenBabel::OBMol::NumConformers() [function] [call site] 00576
4 OpenBabel::OBMol::NumAtoms() const [function] [call site] 00577
4 OpenBabel::OBMol::GetConformer(int) [function] [call site] 00578
4 OpenBabel::OBMol::NumAtoms() const [function] [call site] 00579
4 OpenBabel::OBMol::GetConformer(int) [function] [call site] 00580
4 OpenBabel::OBMol::SetConformers(std::__1::vector<double*, std::__1::allocator<double*> >&) [function] [call site] 00581
4 OpenBabel::OBBase::BeginData() [function] [call site] 00582
4 OpenBabel::OBBase::EndData() [function] [call site] 00583
4 OpenBabel::OBBase::SetData(OpenBabel::OBGenericData*) [function] [call site] 00584
4 OpenBabel::OBMol::HasChiralityPerceived() [function] [call site] 00585
5 OpenBabel::OBMol::HasFlag(int) [function] [call site] 00586
4 OpenBabel::OBMol::SetChiralityPerceived(bool) [function] [call site] 00587
5 OpenBabel::OBMol::SetFlag(int) [function] [call site] 00588
5 OpenBabel::OBMol::UnsetFlag(int) [function] [call site] 00589
3 OpenBabel::OBBase::~OBBase() [function] [call site] 00590
2 OpenBabel::OBMol::AddHydrogens(bool, bool, double) [function] [call site] 00591
3 OpenBabel::OBMol::AddNewHydrogens(OpenBabel::HydrogenType, bool, double) [function] [call site] 00592
4 OpenBabel::OBMol::IsCorrectedForPH() [function] [call site] 00593
5 OpenBabel::OBMol::HasFlag(int) [function] [call site] 00594
4 OpenBabel::OBMol::CorrectForPH(double) [function] [call site] 00595
5 OpenBabel::OBMol::IsCorrectedForPH() [function] [call site] 00596
5 TLS wrapper function for OpenBabel::phmodel [call site] 00597
6 TLS init function for OpenBabel::phmodel [function] [call site] 00598
7 __cxx_global_var_init [function] [call site] 00599
8 OpenBabel::OBPhModel::OBPhModel() [function] [call site] 00600
9 OpenBabel::OBGlobalDataBase::OBGlobalDataBase() [function] [call site] 00601
9 OpenBabel::OBGlobalDataBase::~OBGlobalDataBase() [function] [call site] 00602
8 __cxa_thread_atexit [call site] 00603
8 OpenBabel::OBPhModel::~OBPhModel() [function] [call site] 00604
9 OpenBabel::OBChemTsfm::~OBChemTsfm() [function] [call site] 00605
10 OpenBabel::OBSmartsPattern::~OBSmartsPattern() [function] [call site] 00606
11 OpenBabel::FreePattern(OpenBabel::Pattern*) [function] [call site] 00607
9 OpenBabel::OBGlobalDataBase::~OBGlobalDataBase() [function] [call site] 00608
5 OpenBabel::OBPhModel::CorrectForPH(OpenBabel::OBMol&, double) [function] [call site] 00609
6 OpenBabel::OBGlobalDataBase::Init() [function] [call site] 00610
7 OpenBabel::OBLocale::SetLocale() [function] [call site] 00611
7 OpenBabel::OpenDatafile(std::__1::basic_ifstream<char, std::__1::char_traits<char> >&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&) [function] [call site] 00612
8 getenv [call site] 00613
7 OpenBabel::OpenDatafile(std::__1::basic_ifstream<char, std::__1::char_traits<char> >&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&) [function] [call site] 00614
7 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00615
7 strncpy [call site] 00616
7 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00617
7 OpenBabel::OBLocale::RestoreLocale() [function] [call site] 00618
7 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00619
6 OpenBabel::OBMol::IsCorrectedForPH() [function] [call site] 00620
6 OpenBabel::OBMol::GetDimension() const [function] [call site] 00621
6 OpenBabel::OBMol::AutomaticFormalCharge() [function] [call site] 00622
6 OpenBabel::OBMol::HasChainsPerceived() [function] [call site] 00623
7 OpenBabel::OBMol::HasFlag(int) [function] [call site] 00624
6 OpenBabel::OBMol::SetCorrectedForPH(bool) [function] [call site] 00625
7 OpenBabel::OBMol::SetFlag(int) [function] [call site] 00626
7 OpenBabel::OBMol::UnsetFlag(int) [function] [call site] 00627
6 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00628
6 OpenBabel::OBMol::DeleteHydrogens() [function] [call site] 00629
7 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00630
7 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 00631
7 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 00632
7 OpenBabel::IsSuppressibleHydrogen(OpenBabel::OBAtom*) [function] [call site] 00633
8 OpenBabel::OBAtom::GetIsotope() const [function] [call site] 00634
8 OpenBabel::OBAtom::GetHvyDegree() const [function] [call site] 00635
9 OpenBabel::OBAtom::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00636
9 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 00637
9 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 00638
9 OpenBabel::OBAtom::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00639
8 OpenBabel::OBAtom::GetFormalCharge() const [function] [call site] 00640
8 OpenBabel::OBBase::GetData(char const*) [function] [call site] 00641
9 strcmp [call site] 00642
7 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 00643
7 OpenBabel::OBMol::SetHydrogensAdded(bool) [function] [call site] 00644
8 OpenBabel::OBMol::SetFlag(int) [function] [call site] 00645
8 OpenBabel::OBMol::UnsetFlag(int) [function] [call site] 00646
7 OpenBabel::OBMol::IncrementMod() [function] [call site] 00647
7 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00648
7 OpenBabel::OBAtom::GetImplicitHCount() const [function] [call site] 00649
7 OpenBabel::OBAtom::SetImplicitHCount(unsigned int) [function] [call site] 00650
7 OpenBabel::OBMol::DeleteAtom(OpenBabel::OBAtom*, bool) [function] [call site] 00651
8 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 00652
8 OpenBabel::OBMol::DeleteHydrogen(OpenBabel::OBAtom*) [function] [call site] 00653
9 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 00654
9 OpenBabel::OBBase::DeleteData(unsigned int) [function] [call site] 00655
10 OpenBabel::OBGenericData::GetDataType() const [function] [call site] 00656
9 OpenBabel::OBBase::DeleteData(unsigned int) [function] [call site] 00657
9 OpenBabel::OBAtom::GetIdx() const [function] [call site] 00658
9 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00659
9 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00660
9 OpenBabel::OBMol::IncrementMod() [function] [call site] 00661
9 OpenBabel::OBMol::DeleteBond(OpenBabel::OBBond*, bool) [function] [call site] 00662
10 OpenBabel::OBBase::DeleteData(unsigned int) [function] [call site] 00663
10 OpenBabel::OBBase::DeleteData(unsigned int) [function] [call site] 00664
10 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 00665
10 OpenBabel::OBAtom::DeleteBond(OpenBabel::OBBond*) [function] [call site] 00666
10 OpenBabel::OBBond::GetEndAtom() [function] [call site] 00667
10 OpenBabel::OBAtom::DeleteBond(OpenBabel::OBBond*) [function] [call site] 00668
10 OpenBabel::OBBond::GetId() const [function] [call site] 00669
10 OpenBabel::OBBond::GetIdx() const [function] [call site] 00670
10 OpenBabel::OBMol::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00671
10 OpenBabel::OBBond::SetIdx(int) [function] [call site] 00672
10 OpenBabel::OBMol::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00673
10 OpenBabel::OBMol::SetSSSRPerceived(bool) [function] [call site] 00674
11 OpenBabel::OBMol::SetFlag(int) [function] [call site] 00675
11 OpenBabel::OBMol::UnsetFlag(int) [function] [call site] 00676
10 OpenBabel::OBMol::SetLSSRPerceived(bool) [function] [call site] 00677
11 OpenBabel::OBMol::SetFlag(int) [function] [call site] 00678
11 OpenBabel::OBMol::UnsetFlag(int) [function] [call site] 00679
9 OpenBabel::OBMol::DecrementMod() [function] [call site] 00680
9 OpenBabel::OBMol::NumAtoms() const [function] [call site] 00681
9 OpenBabel::OBAtom::GetCoordinateIdx() const [function] [call site] 00682
9 OpenBabel::OBMol::NumAtoms() const [function] [call site] 00683
9 OpenBabel::OBAtom::GetIdx() const [function] [call site] 00684
9 OpenBabel::OBAtom::GetId() const [function] [call site] 00685
9 OpenBabel::StereoRefToImplicit(OpenBabel::OBMol&, unsigned long) [function] [call site] 00686
10 OpenBabel::OBBase::GetAllData(unsigned int) [function] [call site] 00687
11 OpenBabel::OBGenericData::GetDataType() const [function] [call site] 00688
10 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00689
10 __dynamic_cast [call site] 00690
10 OpenBabel::OBCisTransStereo::GetConfig(OpenBabel::OBStereo::Shape) const [function] [call site] 00691
11 OpenBabel::OBCisTransStereo::IsValid() const [function] [call site] 00692
11 OpenBabel::OBCisTransStereo::Config::Config() [function] [call site] 00693
11 OpenBabel::OBCisTransStereo::Config OpenBabel::OBTetraPlanarStereo::ToConfig<OpenBabel::OBCisTransStereo::Config>(OpenBabel::OBCisTransStereo::Config const&, unsigned long, OpenBabel::OBStereo::Shape) [function] [call site] 00694
12 OpenBabel::OBCisTransStereo::Config::Config(OpenBabel::OBCisTransStereo::Config const&) [function] [call site] 00695
12 OpenBabel::OBStereo::Permutate(std::__1::vector<unsigned long, std::__1::allocator<unsigned long> >&, unsigned int, unsigned int) [function] [call site] 00696
12 OpenBabel::OBCisTransStereo::Config::~Config() [function] [call site] 00697
10 OpenBabel::OBCisTransStereo::SetConfig(OpenBabel::OBCisTransStereo::Config const&) [function] [call site] 00698
11 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00699
11 OpenBabel::OBCisTransStereo::Config::Config() [function] [call site] 00700
11 OpenBabel::OBCisTransStereo::Config::operator=(OpenBabel::OBCisTransStereo::Config&&) [function] [call site] 00701
11 OpenBabel::OBCisTransStereo::Config::~Config() [function] [call site] 00702
11 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00703
11 OpenBabel::OBCisTransStereo::Config::Config() [function] [call site] 00704
11 OpenBabel::OBCisTransStereo::Config::operator=(OpenBabel::OBCisTransStereo::Config&&) [function] [call site] 00705
11 OpenBabel::OBCisTransStereo::Config::~Config() [function] [call site] 00706
11 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00707
11 OpenBabel::OBCisTransStereo::Config::Config() [function] [call site] 00708
11 OpenBabel::OBCisTransStereo::Config::operator=(OpenBabel::OBCisTransStereo::Config&&) [function] [call site] 00709
11 OpenBabel::OBCisTransStereo::Config::~Config() [function] [call site] 00710
11 OpenBabel::OBCisTransStereo::Config OpenBabel::OBTetraPlanarStereo::ToConfig<OpenBabel::OBCisTransStereo::Config>(OpenBabel::OBCisTransStereo::Config const&, unsigned long, OpenBabel::OBStereo::Shape) [function] [call site] 00711
11 OpenBabel::OBCisTransStereo::Config::operator=(OpenBabel::OBCisTransStereo::Config&&) [function] [call site] 00712
11 OpenBabel::OBCisTransStereo::Config::~Config() [function] [call site] 00713
10 OpenBabel::OBCisTransStereo::Config::~Config() [function] [call site] 00714
10 __dynamic_cast [call site] 00715
10 OpenBabel::OBTetrahedralStereo::GetConfig(OpenBabel::OBStereo::Winding, OpenBabel::OBStereo::View) const [function] [call site] 00716
11 OpenBabel::OBTetrahedralStereo::IsValid() const [function] [call site] 00717
11 OpenBabel::OBTetrahedralStereo::Config::Config() [function] [call site] 00718
11 OpenBabel::OBTetrahedralStereo::Config OpenBabel::OBTetraNonPlanarStereo::ToConfig<OpenBabel::OBTetrahedralStereo::Config>(OpenBabel::OBTetrahedralStereo::Config const&, unsigned long, OpenBabel::OBStereo::Winding, OpenBabel::OBStereo::View) [function] [call site] 00719
12 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00720
12 OpenBabel::OBTetrahedralStereo::Config::Config() [function] [call site] 00721
12 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00722
12 OpenBabel::OBTetrahedralStereo::Config::Config() [function] [call site] 00723
12 OpenBabel::OBTetrahedralStereo::Config::Config(OpenBabel::OBTetrahedralStereo::Config const&) [function] [call site] 00724
12 OpenBabel::OBStereo::Permutate(std::__1::vector<unsigned long, std::__1::allocator<unsigned long> >&, unsigned int, unsigned int) [function] [call site] 00725
12 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00726
12 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 00727
11 OpenBabel::OBTetrahedralStereo::Config OpenBabel::OBTetraNonPlanarStereo::ToConfig<OpenBabel::OBTetrahedralStereo::Config>(OpenBabel::OBTetrahedralStereo::Config const&, unsigned long, OpenBabel::OBStereo::Winding, OpenBabel::OBStereo::View) [function] [call site] 00728
10 OpenBabel::OBTetrahedralStereo::SetConfig(OpenBabel::OBTetrahedralStereo::Config const&) [function] [call site] 00729
11 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00730
11 OpenBabel::OBTetrahedralStereo::Config::Config() [function] [call site] 00731
11 OpenBabel::OBTetrahedralStereo::Config::operator=(OpenBabel::OBTetrahedralStereo::Config&&) [function] [call site] 00732
11 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 00733
11 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00734
11 OpenBabel::OBTetrahedralStereo::Config::Config() [function] [call site] 00735
11 OpenBabel::OBTetrahedralStereo::Config::operator=(OpenBabel::OBTetrahedralStereo::Config&&) [function] [call site] 00736
11 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 00737
11 OpenBabel::OBTetrahedralStereo::Config::Config() [function] [call site] 00738
11 OpenBabel::OBTetrahedralStereo::Config::operator=(OpenBabel::OBTetrahedralStereo::Config&&) [function] [call site] 00739
11 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 00740
11 OpenBabel::OBTetrahedralStereo::Config::operator=(OpenBabel::OBTetrahedralStereo::Config const&) [function] [call site] 00741
10 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 00742
9 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 00743
9 OpenBabel::OBAtom::SetIdx(int) [function] [call site] 00744
9 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 00745
9 OpenBabel::OBMol::SetHydrogensAdded(bool) [function] [call site] 00746
9 OpenBabel::OBMol::SetSSSRPerceived(bool) [function] [call site] 00747
9 OpenBabel::OBMol::SetLSSRPerceived(bool) [function] [call site] 00748
8 OpenBabel::OBBase::DeleteData(unsigned int) [function] [call site] 00749
8 OpenBabel::OBBase::DeleteData(unsigned int) [function] [call site] 00750
8 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00751
8 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00752
8 OpenBabel::OBMol::DeleteBond(OpenBabel::OBBond*, bool) [function] [call site] 00753
8 OpenBabel::OBAtom::GetId() const [function] [call site] 00754
8 OpenBabel::OBAtom::GetIdx() const [function] [call site] 00755
8 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 00756
8 OpenBabel::OBAtom::SetIdx(int) [function] [call site] 00757
8 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 00758
8 OpenBabel::OBAtom::GetId() const [function] [call site] 00759
8 OpenBabel::DeleteStereoOnAtom(OpenBabel::OBMol&, unsigned long) [function] [call site] 00760
9 OpenBabel::OBBase::GetAllData(unsigned int) [function] [call site] 00761
9 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00762
9 __dynamic_cast [call site] 00763
9 OpenBabel::OBCisTransStereo::GetConfig(OpenBabel::OBStereo::Shape) const [function] [call site] 00764
9 OpenBabel::OBBase::DeleteData(OpenBabel::OBGenericData*) [function] [call site] 00765
9 OpenBabel::OBCisTransStereo::Config::~Config() [function] [call site] 00766
9 __dynamic_cast [call site] 00767
9 OpenBabel::OBTetrahedralStereo::GetConfig(OpenBabel::OBStereo::Winding, OpenBabel::OBStereo::View) const [function] [call site] 00768
9 OpenBabel::OBBase::DeleteData(OpenBabel::OBGenericData*) [function] [call site] 00769
9 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 00770
8 OpenBabel::OBMol::SetSSSRPerceived(bool) [function] [call site] 00771
8 OpenBabel::OBMol::SetLSSRPerceived(bool) [function] [call site] 00772
7 OpenBabel::OBMol::DecrementMod() [function] [call site] 00773
7 OpenBabel::OBMol::SetSSSRPerceived(bool) [function] [call site] 00774
7 OpenBabel::OBMol::SetLSSRPerceived(bool) [function] [call site] 00775
6 OpenBabel::OBChemTsfm::IsAcid() [function] [call site] 00776
7 OpenBabel::OBSmartsPattern::NumAtoms() const [function] [call site] 00777
7 OpenBabel::OBSmartsPattern::NumAtoms() const [function] [call site] 00778
7 OpenBabel::OBSmartsPattern::GetCharge(int) [function] [call site] 00779
8 OpenBabel::GetExprCharge(OpenBabel::_AtomExpr*) [function] [call site] 00780
9 OpenBabel::GetExprCharge(OpenBabel::_AtomExpr*) [function] [call site] 00781
10 OpenBabel::GetExprCharge(OpenBabel::_AtomExpr*) [function] [call site] 00782
11 OpenBabel::GetExprCharge(OpenBabel::_AtomExpr*) [function] [call site] 00783
12 OpenBabel::GetExprCharge(OpenBabel::_AtomExpr*) [function] [call site] 00784
6 OpenBabel::OBChemTsfm::Apply(OpenBabel::OBMol&) [function] [call site] 00785
7 OpenBabel::OBSmartsPattern::Match(OpenBabel::OBMol&, bool) [function] [call site] 00786
8 OpenBabel::OBSmartsMatcher::match(OpenBabel::OBMol&, OpenBabel::Pattern const*, std::__1::vector<std::__1::vector<int, std::__1::allocator<int> >, std::__1::allocator<std::__1::vector<int, std::__1::allocator<int> > > >&, bool) [function] [call site] 00787
9 OpenBabel::OBSmartsMatcher::FastSingleMatch(OpenBabel::OBMol&, OpenBabel::Pattern const*, std::__1::vector<std::__1::vector<int, std::__1::allocator<int> >, std::__1::allocator<std::__1::vector<int, std::__1::allocator<int> > > >&) [function] [call site] 00788
10 OpenBabel::OBMol::NumAtoms() const [function] [call site] 00789
10 OpenBabel::OBBitVec::OBBitVec(unsigned int) [function] [call site] 00790
10 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 00791
10 OpenBabel::OBSmartsMatcher::EvalAtomExpr(OpenBabel::_AtomExpr*, OpenBabel::OBAtom*) [function] [call site] 00792
11 OpenBabel::OBAtom::IsAromatic() const [function] [call site] 00793
12 OpenBabel::OBAtom::GetParent() [function] [call site] 00794
12 OpenBabel::OBMol::HasAromaticPerceived() [function] [call site] 00795
13 OpenBabel::OBMol::HasFlag(int) [function] [call site] 00796
12 TLS wrapper function for OpenBabel::aromtyper [call site] 00797
13 TLS init function for OpenBabel::aromtyper [function] [call site] 00798
14 __cxx_global_var_init [function] [call site] 00799
15 OpenBabel::OBAromaticTyper::OBAromaticTyper() [function] [call site] 00800
15 OpenBabel::OBAromaticTyper::~OBAromaticTyper() [function] [call site] 00801
12 OpenBabel::OBAromaticTyper::AssignAromaticFlags(OpenBabel::OBMol&) [function] [call site] 00802
13 OpenBabel::OBMol::HasAromaticPerceived() [function] [call site] 00803
13 OpenBabel::OBMol::SetAromaticPerceived(bool) [function] [call site] 00804
14 OpenBabel::OBMol::SetFlag(int) [function] [call site] 00805
14 OpenBabel::OBMol::UnsetFlag(int) [function] [call site] 00806
13 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00807
13 OpenBabel::OBAromaticTyperMolState::OBAromaticTyperMolState(OpenBabel::OBMol&) [function] [call site] 00808
14 OpenBabel::OBMol::NumAtoms() const [function] [call site] 00809
14 OpenBabel::OBMol::NumAtoms() const [function] [call site] 00810
14 OpenBabel::OBMol::NumAtoms() const [function] [call site] 00811
14 OpenBabel::OBMol::NumAtoms() const [function] [call site] 00812
13 OpenBabel::OBAromaticTyperMolState::AssignAromaticFlags() [function] [call site] 00813
14 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 00814
14 OpenBabel::OBAtom::SetAromatic(bool) [function] [call site] 00815
15 OpenBabel::OBAtom::SetFlag(int) [function] [call site] 00816
15 OpenBabel::OBAtom::UnsetFlag(int) [function] [call site] 00817
14 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 00818
14 OpenBabel::OBMol::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00819
14 OpenBabel::OBBond::SetAromatic(bool) [function] [call site] 00820
15 OpenBabel::OBBond::SetFlag(int) [function] [call site] 00821
15 OpenBabel::OBBond::UnsetFlag(int) [function] [call site] 00822
14 OpenBabel::OBMol::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00823
14 OpenBabel::impl::MolGetAtoms(OpenBabel::OBMol const&) [function] [call site] 00824
15 OpenBabel::OBMol::GetAtoms() const [function] [call site] 00825
16 OpenBabel::OBMol::NumAtoms() const [function] [call site] 00826
16 OpenBabel::OBRange<OpenBabel::OBAtom*, std::__1::__wrap_iter<OpenBabel::OBAtom* const*> >::OBRange(std::__1::__wrap_iter<OpenBabel::OBAtom* const*>, std::__1::__wrap_iter<OpenBabel::OBAtom* const*>) [function] [call site] 00827
14 OpenBabel::OBRange<OpenBabel::OBAtom*, std::__1::__wrap_iter<OpenBabel::OBAtom* const*> >::begin() const [function] [call site] 00828
14 OpenBabel::OBRange<OpenBabel::OBAtom*, std::__1::__wrap_iter<OpenBabel::OBAtom* const*> >::end() const [function] [call site] 00829
14 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 00830
14 OpenBabel::OBAtom::GetIdx() const [function] [call site] 00831
14 OpenBabel::AssignOBAromaticityModel(OpenBabel::OBAtom*, int&, int&) [function] [call site] 00832
15 OpenBabel::OBAtom::IsInRing() const [function] [call site] 00833
16 OpenBabel::OBAtom::GetParent() [function] [call site] 00834
16 OpenBabel::OBMol::HasRingAtomsAndBondsPerceived() [function] [call site] 00835
17 OpenBabel::OBMol::HasFlag(int) [function] [call site] 00836
16 OpenBabel::OBMol::FindRingAtomsAndBonds() [function] [call site] 00837
17 OpenBabel::OBMol::HasFlag(int) [function] [call site] 00838
17 OpenBabel::OBMessageHandler::GetOutputLevel() [function] [call site] 00839
17 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00840
17 OpenBabel::FindRingAtomsAndBonds2(OpenBabel::OBMol&) [function] [call site] 00841
18 OpenBabel::OBMol::SetRingAtomsAndBondsPerceived(bool) [function] [call site] 00842
19 OpenBabel::OBMol::SetFlag(int) [function] [call site] 00843
19 OpenBabel::OBMol::UnsetFlag(int) [function] [call site] 00844
18 OpenBabel::OBMol::SetClosureBondsPerceived(bool) [function] [call site] 00845
19 OpenBabel::OBMol::SetFlag(int) [function] [call site] 00846
19 OpenBabel::OBMol::UnsetFlag(int) [function] [call site] 00847
18 OpenBabel::impl::MolGetAtoms(OpenBabel::OBMol const&) [function] [call site] 00848
18 OpenBabel::OBRange<OpenBabel::OBAtom*, std::__1::__wrap_iter<OpenBabel::OBAtom* const*> >::begin() const [function] [call site] 00849
18 OpenBabel::OBRange<OpenBabel::OBAtom*, std::__1::__wrap_iter<OpenBabel::OBAtom* const*> >::end() const [function] [call site] 00850
18 OpenBabel::impl::MolGetBonds(OpenBabel::OBMol const&) [function] [call site] 00851
19 OpenBabel::OBMol::GetBonds() const [function] [call site] 00852
20 OpenBabel::OBMol::NumBonds() const [function] [call site] 00853
20 OpenBabel::OBRange<OpenBabel::OBBond*, std::__1::__wrap_iter<OpenBabel::OBBond* const*> >::OBRange(std::__1::__wrap_iter<OpenBabel::OBBond* const*>, std::__1::__wrap_iter<OpenBabel::OBBond* const*>) [function] [call site] 00854
18 OpenBabel::OBRange<OpenBabel::OBBond*, std::__1::__wrap_iter<OpenBabel::OBBond* const*> >::begin() const [function] [call site] 00855
18 OpenBabel::OBRange<OpenBabel::OBBond*, std::__1::__wrap_iter<OpenBabel::OBBond* const*> >::end() const [function] [call site] 00856
18 OpenBabel::OBAtom::SetInRing(bool) [function] [call site] 00857
19 OpenBabel::OBAtom::SetFlag(int) [function] [call site] 00858
19 OpenBabel::OBAtom::UnsetFlag(int) [function] [call site] 00859
18 OpenBabel::OBMol::NumBonds() const [function] [call site] 00860
18 calloc [call site] 00861
18 OpenBabel::OBMol::NumAtoms() const [function] [call site] 00862
18 calloc [call site] 00863
18 OpenBabel::OBBond::SetInRing(bool) [function] [call site] 00864
19 OpenBabel::OBBond::SetFlag(int) [function] [call site] 00865
19 OpenBabel::OBBond::UnsetFlag(int) [function] [call site] 00866
18 OpenBabel::OBBond::SetClosure(bool) [function] [call site] 00867
19 OpenBabel::OBBond::SetFlag(int) [function] [call site] 00868
19 OpenBabel::OBBond::UnsetFlag(int) [function] [call site] 00869
18 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 00870
18 OpenBabel::FindRings(OpenBabel::OBAtom*, int*, unsigned char*, unsigned int&, int) [function] [call site] 00871
19 OpenBabel::FindRings(OpenBabel::OBAtom*, int*, unsigned char*, unsigned int&, int)::Frame::Frame() [function] [call site] 00872
19 OpenBabel::OBAtom::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00873
19 OpenBabel::OBBond::SetInRing(bool) [function] [call site] 00874
19 OpenBabel::OBAtom::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00875
19 OpenBabel::OBBond::GetIdx() const [function] [call site] 00876
19 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 00877
19 OpenBabel::OBAtom::GetIdx() const [function] [call site] 00878
19 OpenBabel::FindRings(OpenBabel::OBAtom*, int*, unsigned char*, unsigned int&, int)::Frame::Frame() [function] [call site] 00879
19 OpenBabel::OBAtom::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00880
19 OpenBabel::OBBond::SetClosure(bool) [function] [call site] 00881
19 OpenBabel::OBBond::SetInRing(bool) [function] [call site] 00882
19 OpenBabel::OBAtom::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00883
19 OpenBabel::OBAtom::SetInRing(bool) [function] [call site] 00884
16 OpenBabel::OBAtom::HasFlag(int) [function] [call site] 00885
15 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 00886
15 OpenBabel::OBAtom::GetFormalCharge() const [function] [call site] 00887
15 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 00888
15 OpenBabel::OBAtom::GetImplicitHCount() const [function] [call site] 00889
15 OpenBabel::OBAtom::GetExplicitValence() const [function] [call site] 00890
16 OpenBabel::OBAtom::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00891
16 OpenBabel::OBBond::GetBondOrder() const [function] [call site] 00892
16 OpenBabel::OBAtom::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00893
15 OpenBabel::OBAtom::GetImplicitHCount() const [function] [call site] 00894
15 OpenBabel::HasExocyclicDblBondToHet(OpenBabel::OBAtom*) [function] [call site] 00895
16 OpenBabel::impl::AtomGetBonds(OpenBabel::OBAtom const*) [function] [call site] 00896
17 OpenBabel::OBAtom::GetBonds() const [function] [call site] 00897
18 OpenBabel::OBRange<OpenBabel::OBBond*, std::__1::__wrap_iter<OpenBabel::OBBond* const*> >::OBRange(std::__1::__wrap_iter<OpenBabel::OBBond* const*>, std::__1::__wrap_iter<OpenBabel::OBBond* const*>) [function] [call site] 00898
16 OpenBabel::OBRange<OpenBabel::OBBond*, std::__1::__wrap_iter<OpenBabel::OBBond* const*> >::begin() const [function] [call site] 00899
16 OpenBabel::OBRange<OpenBabel::OBBond*, std::__1::__wrap_iter<OpenBabel::OBBond* const*> >::end() const [function] [call site] 00900
16 OpenBabel::OBBond::GetBondOrder() const [function] [call site] 00901
16 OpenBabel::OBBond::IsInRing() const [function] [call site] 00902
17 OpenBabel::OBBond::GetParent() [function] [call site] 00903
17 OpenBabel::OBMol::HasRingAtomsAndBondsPerceived() [function] [call site] 00904
17 OpenBabel::OBMol::FindRingAtomsAndBonds() [function] [call site] 00905
17 OpenBabel::OBBond::HasFlag(int) const [function] [call site] 00906
16 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 00907
16 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 00908
15 OpenBabel::FindExocyclicAtom(OpenBabel::OBAtom*) [function] [call site] 00909
16 OpenBabel::impl::AtomGetBonds(OpenBabel::OBAtom const*) [function] [call site] 00910
16 OpenBabel::OBRange<OpenBabel::OBBond*, std::__1::__wrap_iter<OpenBabel::OBBond* const*> >::begin() const [function] [call site] 00911
16 OpenBabel::OBRange<OpenBabel::OBBond*, std::__1::__wrap_iter<OpenBabel::OBBond* const*> >::end() const [function] [call site] 00912
16 OpenBabel::OBBond::GetBondOrder() const [function] [call site] 00913
16 OpenBabel::OBBond::IsInRing() const [function] [call site] 00914
16 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 00915
16 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 00916
15 OpenBabel::HasExocyclicDblBondToOxygen(OpenBabel::OBAtom*) [function] [call site] 00917
16 OpenBabel::impl::AtomGetBonds(OpenBabel::OBAtom const*) [function] [call site] 00918
16 OpenBabel::OBRange<OpenBabel::OBBond*, std::__1::__wrap_iter<OpenBabel::OBBond* const*> >::begin() const [function] [call site] 00919
16 OpenBabel::OBRange<OpenBabel::OBBond*, std::__1::__wrap_iter<OpenBabel::OBBond* const*> >::end() const [function] [call site] 00920
16 OpenBabel::OBBond::GetBondOrder() const [function] [call site] 00921
16 OpenBabel::OBBond::IsInRing() const [function] [call site] 00922
16 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 00923
16 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 00924
15 OpenBabel::HasExocyclicBondToOxygenMinus(OpenBabel::OBAtom*) [function] [call site] 00925
16 OpenBabel::impl::AtomGetBonds(OpenBabel::OBAtom const*) [function] [call site] 00926
16 OpenBabel::OBRange<OpenBabel::OBBond*, std::__1::__wrap_iter<OpenBabel::OBBond* const*> >::begin() const [function] [call site] 00927
16 OpenBabel::OBRange<OpenBabel::OBBond*, std::__1::__wrap_iter<OpenBabel::OBBond* const*> >::end() const [function] [call site] 00928
16 OpenBabel::OBBond::GetBondOrder() const [function] [call site] 00929
16 OpenBabel::OBBond::IsInRing() const [function] [call site] 00930
16 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 00931
16 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 00932
16 OpenBabel::OBAtom::GetFormalCharge() const [function] [call site] 00933
14 OpenBabel::OBAtom::GetIdx() const [function] [call site] 00934
14 OpenBabel::OBAromaticTyperMolState::PropagatePotentialAromatic(OpenBabel::OBAtom*) [function] [call site] 00935
15 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00936
15 OpenBabel::OBBond::IsInRing() const [function] [call site] 00937
15 OpenBabel::OBAtom::GetIdx() const [function] [call site] 00938
15 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00939
15 OpenBabel::OBAtom::GetIdx() const [function] [call site] 00940
14 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 00941
14 OpenBabel::OBAromaticTyperMolState::SelectRootAtoms(bool) [function] [call site] 00942
15 OpenBabel::OBMol::GetSSSR() [function] [call site] 00943
16 OpenBabel::OBMol::HasSSSRPerceived() [function] [call site] 00944
17 OpenBabel::OBMol::HasFlag(int) [function] [call site] 00945
16 OpenBabel::OBMol::FindSSSR() [function] [call site] 00946
17 OpenBabel::OBMol::HasSSSRPerceived() [function] [call site] 00947
17 OpenBabel::OBMol::SetSSSRPerceived(bool) [function] [call site] 00948
17 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 00949
17 OpenBabel::OBBase::HasData(char const*) [function] [call site] 00950
18 OpenBabel::OBBase::HasData(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&) [function] [call site] 00951
17 OpenBabel::OBBase::DeleteData(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&) [function] [call site] 00952
17 OpenBabel::DetermineFRJ(OpenBabel::OBMol&) [function] [call site] 00953
18 OpenBabel::OBMol::HasClosureBondsPerceived() [function] [call site] 00954
19 OpenBabel::OBMol::HasFlag(int) [function] [call site] 00955
18 OpenBabel::FindRingAtomsAndBonds2(OpenBabel::OBMol&) [function] [call site] 00956
18 OpenBabel::OBMol::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00957
18 OpenBabel::OBBond::IsClosure() [function] [call site] 00958
19 OpenBabel::OBBond::GetParent() [function] [call site] 00959
19 OpenBabel::OBMol::HasClosureBondsPerceived() [function] [call site] 00960
19 OpenBabel::OBMol::FindRingAtomsAndBonds() [function] [call site] 00961
19 OpenBabel::OBBond::HasFlag(int) const [function] [call site] 00962
18 OpenBabel::OBMol::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00963
17 OpenBabel::OBMol::FindRingAtomsAndBonds() [function] [call site] 00964
17 OpenBabel::OBMol::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00965
17 OpenBabel::OBBond::IsClosure() [function] [call site] 00966
17 OpenBabel::OBMol::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 00967
17 OpenBabel::OBRingSearch::OBRingSearch() [function] [call site] 00968
18 OpenBabel::OBRingSearchPrivate::OBRingSearchPrivate() [function] [call site] 00969
17 OpenBabel::OBRingSearch::AddRingFromClosure(OpenBabel::OBMol&, OpenBabel::OBBond*) [function] [call site] 00970
18 OpenBabel::OBMol::NumAtoms() const [function] [call site] 00971
18 OpenBabel::OBMol::NumAtoms() const [function] [call site] 00972
18 OpenBabel::OBBitVec::OBBitVec() [function] [call site] 00973
18 OpenBabel::OBBond::GetEndAtomIdx() const [function] [call site] 00974
18 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 00975
18 OpenBabel::OBBond::GetBeginAtomIdx() const [function] [call site] 00976
18 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 00977
18 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 00978
18 OpenBabel::BuildOBRTreeVector(OpenBabel::OBAtom*, OpenBabel::OBRTree*, std::__1::vector<OpenBabel::OBRTree*, std::__1::allocator<OpenBabel::OBRTree*> >&, OpenBabel::OBBitVec&) [function] [call site] 00979
19 OpenBabel::OBRTree::OBRTree(OpenBabel::OBAtom*, OpenBabel::OBRTree*) [function] [call site] 00980
19 OpenBabel::OBAtom::GetIdx() const [function] [call site] 00981
19 OpenBabel::OBAtom::GetParent() [function] [call site] 00982
19 OpenBabel::OBBitVec::OBBitVec() [function] [call site] 00983
19 OpenBabel::OBAtom::GetIdx() const [function] [call site] 00984
19 OpenBabel::OBBitVec::operator|=(int) [function] [call site] 00985
20 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 00986
19 OpenBabel::operator|(OpenBabel::OBBitVec const&, OpenBabel::OBBitVec const&) [function] [call site] 00987
20 OpenBabel::OBBitVec::OBBitVec(OpenBabel::OBBitVec const&) [function] [call site] 00988
21 OpenBabel::OBBitVec::operator=(OpenBabel::OBBitVec const&) [function] [call site] 00989
20 OpenBabel::OBBitVec::operator|=(OpenBabel::OBBitVec const&) [function] [call site] 00990
21 OpenBabel::OBBitVec::GetSize() const [function] [call site] 00991
21 OpenBabel::OBBitVec::GetSize() const [function] [call site] 00992
21 OpenBabel::OBBitVec::ResizeWords(unsigned int) [function] [call site] 00993
21 OpenBabel::OBBitVec::GetSize() const [function] [call site] 00994
20 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 00995
19 OpenBabel::OBBitVec::operator=(OpenBabel::OBBitVec const&) [function] [call site] 00996
19 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 00997
19 OpenBabel::OBBitVec::Clear() [function] [call site] 00998
19 OpenBabel::OBBitVec::NextBit(int) const [function] [call site] 00999
20 OpenBabel::OBBitVec::GetSize() const [function] [call site] 01000
20 OpenBabel::OBBitVec::GetSize() const [function] [call site] 01001
19 OpenBabel::OBBitVec::EndBit() const [function] [call site] 01002
19 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 01003
19 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01004
19 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01005
19 OpenBabel::OBBitVec::operator[](int) const [function] [call site] 01006
19 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01007
19 OpenBabel::OBBitVec::operator|=(int) [function] [call site] 01008
19 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01009
19 OpenBabel::OBBitVec::operator|=(int) [function] [call site] 01010
19 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01011
19 OpenBabel::OBRTree::OBRTree(OpenBabel::OBAtom*, OpenBabel::OBRTree*) [function] [call site] 01012
19 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01013
19 OpenBabel::OBBitVec::IsEmpty() const [function] [call site] 01014
19 OpenBabel::OBBitVec::operator=(OpenBabel::OBBitVec const&) [function] [call site] 01015
19 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01016
18 OpenBabel::OBBond::GetEndAtom() [function] [call site] 01017
18 OpenBabel::BuildOBRTreeVector(OpenBabel::OBAtom*, OpenBabel::OBRTree*, std::__1::vector<OpenBabel::OBRTree*, std::__1::allocator<OpenBabel::OBRTree*> >&, OpenBabel::OBBitVec&) [function] [call site] 01018
18 OpenBabel::OBRTree::PathToRoot(std::__1::vector<OpenBabel::OBAtom*, std::__1::allocator<OpenBabel::OBAtom*> >&) [function] [call site] 01019
18 OpenBabel::OBRTree::GetAtomIdx() [function] [call site] 01020
19 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01021
18 OpenBabel::OBRTree::GetAtomIdx() [function] [call site] 01022
18 OpenBabel::OBRTree::PathToRoot(std::__1::vector<OpenBabel::OBAtom*, std::__1::allocator<OpenBabel::OBAtom*> >&) [function] [call site] 01023
18 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01024
18 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01025
18 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01026
18 OpenBabel::OBRingSearch::SaveUniqueRing(std::__1::deque<int, std::__1::allocator<int> >&, std::__1::deque<int, std::__1::allocator<int> >&) [function] [call site] 01027
19 OpenBabel::OBBitVec::OBBitVec() [function] [call site] 01028
19 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 01029
19 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 01030
19 OpenBabel::OBBitVec::NextBit(int) const [function] [call site] 01031
19 OpenBabel::OBBitVec::OBBitVec(OpenBabel::OBBitVec const&) [function] [call site] 01032
19 OpenBabel::OBRing::OBRing(std::__1::vector<int, std::__1::allocator<int> >&, OpenBabel::OBBitVec) [function] [call site] 01033
20 OpenBabel::OBBitVec::OBBitVec(OpenBabel::OBBitVec const&) [function] [call site] 01034
19 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01035
19 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01036
18 OpenBabel::OBAtom::IsConnected(OpenBabel::OBAtom*) [function] [call site] 01037
19 OpenBabel::OBAtom::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01038
19 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 01039
19 OpenBabel::OBBond::GetEndAtom() [function] [call site] 01040
19 OpenBabel::OBAtom::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01041
18 OpenBabel::OBRingSearch::SaveUniqueRing(std::__1::deque<int, std::__1::allocator<int> >&, std::__1::deque<int, std::__1::allocator<int> >&) [function] [call site] 01042
18 OpenBabel::OBRTree::~OBRTree() [function] [call site] 01043
18 OpenBabel::OBRTree::~OBRTree() [function] [call site] 01044
18 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01045
18 OpenBabel::OBRing::SetParent(OpenBabel::OBMol*) [function] [call site] 01046
17 OpenBabel::OBRingSearch::SortRings() [function] [call site] 01047
18 OpenBabel::CompareRingSize(OpenBabel::OBRing const*, OpenBabel::OBRing const*) [function] [call site] 01048
19 OpenBabel::OBRing::Size() const [function] [call site] 01049
17 OpenBabel::OBRingSearch::RemoveRedundant(int) [function] [call site] 01050
18 OpenBabel::OBBitVec::NextBit(int) const [function] [call site] 01051
18 OpenBabel::OBRing::~OBRing() [function] [call site] 01052
19 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01053
18 OpenBabel::OBRing::GetParent() [function] [call site] 01054
18 OpenBabel::visitRing(OpenBabel::OBMol*, OpenBabel::OBRing*, std::__1::vector<OpenBabel::OBRing*, std::__1::allocator<OpenBabel::OBRing*> >&, std::__1::vector<OpenBabel::OBRing*, std::__1::allocator<OpenBabel::OBRing*> >&) [function] [call site] 01055
19 OpenBabel::OBBitVec::OBBitVec() [function] [call site] 01056
19 OpenBabel::OBMol::NumAtoms() const [function] [call site] 01057
19 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 01058
19 OpenBabel::OBMol::NumBonds() const [function] [call site] 01059
19 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 01060
19 OpenBabel::OBBitVec::Clear() [function] [call site] 01061
19 OpenBabel::operator&(OpenBabel::OBBitVec const&, OpenBabel::OBBitVec const&) [function] [call site] 01062
20 OpenBabel::OBBitVec::OBBitVec(OpenBabel::OBBitVec const&) [function] [call site] 01063
20 OpenBabel::OBBitVec::operator&=(OpenBabel::OBBitVec const&) [function] [call site] 01064
21 OpenBabel::OBBitVec::GetSize() const [function] [call site] 01065
19 OpenBabel::OBBitVec::operator|=(OpenBabel::OBBitVec const&) [function] [call site] 01066
19 OpenBabel::OBBitVec::operator=(OpenBabel::OBBitVec const&) [function] [call site] 01067
19 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01068
19 OpenBabel::operator==(OpenBabel::OBBitVec const&, OpenBabel::OBBitVec const&) [function] [call site] 01069
20 OpenBabel::OBBitVec::GetSize() const [function] [call site] 01070
20 OpenBabel::OBBitVec::GetSize() const [function] [call site] 01071
20 OpenBabel::OBBitVec::GetSize() const [function] [call site] 01072
20 OpenBabel::OBBitVec::GetSize() const [function] [call site] 01073
20 OpenBabel::OBBitVec::GetSize() const [function] [call site] 01074
19 OpenBabel::atomRingToBondRing(OpenBabel::OBMol*, std::__1::vector<int, std::__1::allocator<int> > const&) [function] [call site] 01075
20 OpenBabel::OBMol::GetBond(int, int) const [function] [call site] 01076
20 OpenBabel::OBMol::GetBond(int, int) const [function] [call site] 01077
20 OpenBabel::OBBond::GetIdx() const [function] [call site] 01078
20 OpenBabel::OBBond::GetIdx() const [function] [call site] 01079
19 OpenBabel::OBBitVec::OBBitVec() [function] [call site] 01080
19 OpenBabel::OBBitVec::Clear() [function] [call site] 01081
19 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 01082
19 OpenBabel::operator&(OpenBabel::OBBitVec const&, OpenBabel::OBBitVec const&) [function] [call site] 01083
19 OpenBabel::atomRingToBondRing(OpenBabel::OBMol*, std::__1::vector<int, std::__1::allocator<int> > const&) [function] [call site] 01084
19 OpenBabel::OBBitVec::OBBitVec() [function] [call site] 01085
19 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 01086
19 OpenBabel::OBBitVec::operator|=(OpenBabel::OBBitVec const&) [function] [call site] 01087
19 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01088
19 OpenBabel::OBBitVec::operator=(OpenBabel::OBBitVec const&) [function] [call site] 01089
19 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01090
19 OpenBabel::operator==(OpenBabel::OBBitVec const&, OpenBabel::OBBitVec const&) [function] [call site] 01091
19 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01092
18 OpenBabel::OBRing::~OBRing() [function] [call site] 01093
18 OpenBabel::OBBitVec::OBBitVec() [function] [call site] 01094
18 OpenBabel::OBRing::GetParent() [function] [call site] 01095
18 OpenBabel::OBBitVec::Clear() [function] [call site] 01096
18 OpenBabel::atomRingToBondRing(OpenBabel::OBMol*, std::__1::vector<int, std::__1::allocator<int> > const&) [function] [call site] 01097
18 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 01098
18 OpenBabel::OBBitVec::OBBitVec() [function] [call site] 01099
18 OpenBabel::OBBitVec::operator=(OpenBabel::OBBitVec const&) [function] [call site] 01100
18 OpenBabel::OBBitVec::Clear() [function] [call site] 01101
18 OpenBabel::OBBitVec::operator|=(OpenBabel::OBBitVec const&) [function] [call site] 01102
18 OpenBabel::operator&(OpenBabel::OBBitVec const&, OpenBabel::OBBitVec const&) [function] [call site] 01103
18 OpenBabel::OBBitVec::operator=(OpenBabel::OBBitVec const&) [function] [call site] 01104
18 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01105
18 OpenBabel::operator==(OpenBabel::OBBitVec const&, OpenBabel::OBBitVec const&) [function] [call site] 01106
18 OpenBabel::OBRing::~OBRing() [function] [call site] 01107
18 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01108
17 OpenBabel::OBRingSearch::BeginRings() [function] [call site] 01109
17 OpenBabel::OBRingSearch::EndRings() [function] [call site] 01110
17 OpenBabel::OBMol::NumAtoms() const [function] [call site] 01111
17 OpenBabel::OBRing::OBRing(std::__1::vector<int, std::__1::allocator<int> >&, int) [function] [call site] 01112
18 OpenBabel::OBBitVec::OBBitVec() [function] [call site] 01113
18 OpenBabel::OBBitVec::FromVecInt(std::__1::vector<int, std::__1::allocator<int> > const&) [function] [call site] 01114
19 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 01115
18 OpenBabel::OBBitVec::Resize(unsigned int) [function] [call site] 01116
19 OpenBabel::OBBitVec::ResizeWords(unsigned int) [function] [call site] 01117
18 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01118
17 OpenBabel::OBRing::SetParent(OpenBabel::OBMol*) [function] [call site] 01119
17 OpenBabel::OBRingSearch::~OBRingSearch() [function] [call site] 01120
18 OpenBabel::OBRing::~OBRing() [function] [call site] 01121
17 OpenBabel::OBRingData::OBRingData() [function] [call site] 01122
18 OpenBabel::OBGenericData::OBGenericData(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> >, unsigned int, OpenBabel::DataOrigin) [function] [call site] 01123
17 OpenBabel::OBGenericData::SetOrigin(OpenBabel::DataOrigin) [function] [call site] 01124
17 OpenBabel::OBGenericData::SetAttribute(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&) [function] [call site] 01125
17 OpenBabel::OBRingData::SetData(std::__1::vector<OpenBabel::OBRing*, std::__1::allocator<OpenBabel::OBRing*> >&) [function] [call site] 01126
17 OpenBabel::OBBase::SetData(OpenBabel::OBGenericData*) [function] [call site] 01127
16 OpenBabel::OBBase::GetData(char const*) [function] [call site] 01128
16 __dynamic_cast [call site] 01129
16 OpenBabel::OBBase::DeleteData(OpenBabel::OBGenericData*) [function] [call site] 01130
16 OpenBabel::OBRingData::OBRingData() [function] [call site] 01131
16 OpenBabel::OBGenericData::SetAttribute(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&) [function] [call site] 01132
16 OpenBabel::OBBase::SetData(OpenBabel::OBGenericData*) [function] [call site] 01133
16 OpenBabel::OBGenericData::SetOrigin(OpenBabel::DataOrigin) [function] [call site] 01134
16 OpenBabel::OBRingData::GetData() [function] [call site] 01135
15 OpenBabel::OBMol::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01136
15 OpenBabel::OBBond::IsClosure() [function] [call site] 01137
15 OpenBabel::OBBond::GetBeginAtomIdx() const [function] [call site] 01138
15 OpenBabel::OBMol::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01139
15 OpenBabel::OBMol::NumAtoms() const [function] [call site] 01140
15 OpenBabel::OBBond::GetBeginAtomIdx() const [function] [call site] 01141
15 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 01142
15 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01143
15 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 01144
15 OpenBabel::OBAtom::IsInRing() const [function] [call site] 01145
15 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01146
15 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 01147
15 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01148
15 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 01149
15 OpenBabel::OBAtom::IsInRing() const [function] [call site] 01150
15 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 01151
15 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01152
15 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 01153
15 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01154
15 OpenBabel::OBRing::IsInRing(int) [function] [call site] 01155
16 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01156
15 OpenBabel::OBRing::IsInRing(int) [function] [call site] 01157
14 OpenBabel::OBAromaticTyperMolState::ExcludeSmallRing() [function] [call site] 01158
15 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 01159
15 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01160
15 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01161
15 OpenBabel::OBBond::IsInRing() const [function] [call site] 01162
15 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01163
15 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01164
15 OpenBabel::OBBond::IsInRing() const [function] [call site] 01165
15 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01166
15 OpenBabel::OBAtom::IsConnected(OpenBabel::OBAtom*) [function] [call site] 01167
15 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01168
15 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01169
15 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01170
15 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 01171
14 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 01172
14 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01173
14 OpenBabel::OBAromaticTyperMolState::CheckAromaticity(OpenBabel::OBAtom*, int) [function] [call site] 01174
15 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01175
15 OpenBabel::OBBond::IsInRing() const [function] [call site] 01176
15 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01177
15 OpenBabel::OBAromaticTyperMolState::TraverseCycle(OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBBond*, std::__1::pair<int, int>&, int) [function] [call site] 01178
16 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01179
16 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01180
16 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01181
16 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01182
16 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01183
16 OpenBabel::OBBond::IsInRing() const [function] [call site] 01184
16 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01185
16 OpenBabel::OBAromaticTyperMolState::TraverseCycle(OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBBond*, std::__1::pair<int, int>&, int) [function] [call site] 01186
17 OpenBabel::OBBond::SetAromatic(bool) [function] [call site] 01187
17 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01188
17 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01189
17 OpenBabel::OBAtom::SetAromatic(bool) [function] [call site] 01190
17 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01191
17 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01192
15 OpenBabel::OBAtom::SetAromatic(bool) [function] [call site] 01193
15 OpenBabel::OBBond::SetAromatic(bool) [function] [call site] 01194
15 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01195
14 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 01196
13 OpenBabel::OBAromaticTyperMolState::~OBAromaticTyperMolState() [function] [call site] 01197
12 OpenBabel::OBAtom::HasFlag(int) [function] [call site] 01198
11 OpenBabel::OBAtom::IsAromatic() const [function] [call site] 01199
11 OpenBabel::OBAtom::IsInRing() const [function] [call site] 01200
11 OpenBabel::OBAtom::IsInRing() const [function] [call site] 01201
11 OpenBabel::OBAtom::GetIsotope() const [function] [call site] 01202
11 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 01203
11 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 01204
11 OpenBabel::OBAtom::IsAromatic() const [function] [call site] 01205
11 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 01206
11 OpenBabel::OBAtom::IsAromatic() const [function] [call site] 01207
11 OpenBabel::OBAtom::ExplicitHydrogenCount(bool) const [function] [call site] 01208
12 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01209
12 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 01210
12 OpenBabel::OBAtom::GetIsotope() const [function] [call site] 01211
12 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01212
11 OpenBabel::OBAtom::GetImplicitHCount() const [function] [call site] 01213
11 OpenBabel::OBAtom::GetFormalCharge() const [function] [call site] 01214
11 OpenBabel::OBAtom::GetTotalDegree() const [function] [call site] 01215
11 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 01216
11 OpenBabel::OBAtom::GetImplicitHCount() const [function] [call site] 01217
11 OpenBabel::OBAtom::MemberOfRingCount() const [function] [call site] 01218
12 OpenBabel::OBAtom::GetParent() [function] [call site] 01219
12 OpenBabel::OBMol::HasSSSRPerceived() [function] [call site] 01220
12 OpenBabel::OBMol::FindSSSR() [function] [call site] 01221
12 OpenBabel::OBAtom::IsInRing() const [function] [call site] 01222
12 OpenBabel::OBMol::GetSSSR() [function] [call site] 01223
12 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01224
12 OpenBabel::OBRing::IsInRing(int) [function] [call site] 01225
11 OpenBabel::OBAtom::IsInRingSize(int) const [function] [call site] 01226
12 OpenBabel::OBAtom::GetParent() [function] [call site] 01227
12 OpenBabel::OBMol::HasSSSRPerceived() [function] [call site] 01228
12 OpenBabel::OBMol::FindSSSR() [function] [call site] 01229
12 OpenBabel::OBAtom::HasFlag(int) [function] [call site] 01230
12 OpenBabel::OBMol::GetSSSR() [function] [call site] 01231
12 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01232
12 OpenBabel::OBRing::IsInRing(int) [function] [call site] 01233
12 OpenBabel::OBRing::Size() const [function] [call site] 01234
11 OpenBabel::OBAtom::GetTotalValence() const [function] [call site] 01235
12 OpenBabel::OBAtom::GetExplicitValence() const [function] [call site] 01236
11 OpenBabel::OBAtom::GetHyb() const [function] [call site] 01237
12 OpenBabel::OBAtom::GetParent() [function] [call site] 01238
12 OpenBabel::OBMol::HasHybridizationPerceived() [function] [call site] 01239
13 OpenBabel::OBMol::HasFlag(int) [function] [call site] 01240
12 TLS wrapper function for OpenBabel::atomtyper [call site] 01241
12 OpenBabel::OBAtomTyper::AssignHyb(OpenBabel::OBMol&) [function] [call site] 01242
13 OpenBabel::OBGlobalDataBase::Init() [function] [call site] 01243
13 TLS wrapper function for OpenBabel::aromtyper [call site] 01244
13 OpenBabel::OBAromaticTyper::AssignAromaticFlags(OpenBabel::OBMol&) [function] [call site] 01245
13 OpenBabel::OBMol::SetHybridizationPerceived(bool) [function] [call site] 01246
14 OpenBabel::OBMol::SetFlag(int) [function] [call site] 01247
14 OpenBabel::OBMol::UnsetFlag(int) [function] [call site] 01248
13 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 01249
13 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 01250
13 OpenBabel::OBAtom::SetHyb(int) [function] [call site] 01251
13 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 01252
13 OpenBabel::OBSmartsPattern::Match(OpenBabel::OBMol&, std::__1::vector<std::__1::vector<int, std::__1::allocator<int> >, std::__1::allocator<std::__1::vector<int, std::__1::allocator<int> > > >&, OpenBabel::OBSmartsPattern::MatchType) const [function] [call site] 01253
14 OpenBabel::OBSmartsMatcher::OBSmartsMatcher() [function] [call site] 01254
14 OpenBabel::OBMol::OBMol(OpenBabel::OBMol const&) [function] [call site] 01255
14 OpenBabel::OBMol::AddHydrogens(bool, bool, double) [function] [call site] 01256
14 OpenBabel::OBSmartsMatcher::match(OpenBabel::OBMol&, OpenBabel::Pattern const*, std::__1::vector<std::__1::vector<int, std::__1::allocator<int> >, std::__1::allocator<std::__1::vector<int, std::__1::allocator<int> > > >&, bool) [function] [call site] 01257
15 OpenBabel::OBSSMatch::OBSSMatch(OpenBabel::OBMol&, OpenBabel::Pattern const*) [function] [call site] 01258
16 OpenBabel::OBMol::Empty() [function] [call site] 01259
16 OpenBabel::OBMol::NumAtoms() const [function] [call site] 01260
16 OpenBabel::OBMol::NumAtoms() const [function] [call site] 01261
15 OpenBabel::OBSSMatch::Match(std::__1::vector<std::__1::vector<int, std::__1::allocator<int> >, std::__1::allocator<std::__1::vector<int, std::__1::allocator<int> > > >&, int) [function] [call site] 01262
16 OpenBabel::OBSmartsMatcher::OBSmartsMatcher() [function] [call site] 01263
16 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 01264
16 OpenBabel::OBSmartsMatcher::EvalAtomExpr(OpenBabel::_AtomExpr*, OpenBabel::OBAtom*) [function] [call site] 01265
17 OpenBabel::OBAtom::CountRingBonds() const [function] [call site] 01266
18 OpenBabel::OBAtom::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01267
18 OpenBabel::OBBond::IsInRing() const [function] [call site] 01268
18 OpenBabel::OBAtom::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01269
17 OpenBabel::OBSmartsMatcher::EvalAtomExpr(OpenBabel::_AtomExpr*, OpenBabel::OBAtom*) [function] [call site] 01270
18 OpenBabel::OBSmartsMatcher::EvalAtomExpr(OpenBabel::_AtomExpr*, OpenBabel::OBAtom*) [function] [call site] 01271
19 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01272
19 OpenBabel::OBAtom::GetParent() [function] [call site] 01273
19 OpenBabel::OBMol::NumAtoms() const [function] [call site] 01274
19 OpenBabel::OBAtom::GetParent() [function] [call site] 01275
19 OpenBabel::OBSmartsMatcher::match(OpenBabel::OBMol&, OpenBabel::Pattern const*, std::__1::vector<std::__1::vector<int, std::__1::allocator<int> >, std::__1::allocator<std::__1::vector<int, std::__1::allocator<int> > > >&, bool) [function] [call site] 01276
20 OpenBabel::OBSSMatch::~OBSSMatch() [function] [call site] 01277
20 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 01278
20 OpenBabel::OBStereoFacade::OBStereoFacade(OpenBabel::OBMol*, bool) [function] [call site] 01279
20 OpenBabel::OBAtom::GetId() const [function] [call site] 01280
20 OpenBabel::OBStereoFacade::GetTetrahedralStereo(unsigned long) [function] [call site] 01281
21 OpenBabel::OBStereoFacade::HasTetrahedralStereo(unsigned long) [function] [call site] 01282
22 OpenBabel::OBStereoFacade::EnsureInit() [function] [call site] 01283
23 OpenBabel::OBStereoFacade::InitMaps() [function] [call site] 01284
24 OpenBabel::OBMol::HasChiralityPerceived() [function] [call site] 01285
24 OpenBabel::PerceiveStereo(OpenBabel::OBMol*, bool) [function] [call site] 01286
25 OpenBabel::OBMol::GetDimension() const [function] [call site] 01287
25 OpenBabel::StereoFrom3D(OpenBabel::OBMol*, bool) [function] [call site] 01288
26 OpenBabel::OBMol::HasChiralityPerceived() [function] [call site] 01289
26 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 01290
26 OpenBabel::FindSymmetry(OpenBabel::OBMol*) [function] [call site] 01291
27 OpenBabel::OBGraphSym::OBGraphSym(OpenBabel::OBMol*, OpenBabel::OBBitVec const*) [function] [call site] 01292
28 OpenBabel::OBGraphSymPrivate::OBGraphSymPrivate() [function] [call site] 01293
29 OpenBabel::OBBitVec::OBBitVec() [function] [call site] 01294
28 OpenBabel::OBBitVec::operator=(OpenBabel::OBBitVec const&) [function] [call site] 01295
28 OpenBabel::OBMol::NumAtoms() const [function] [call site] 01296
28 OpenBabel::OBBitVec::Resize(unsigned int) [function] [call site] 01297
28 OpenBabel::impl::MolGetAtoms(OpenBabel::OBMol const*) [function] [call site] 01298
29 OpenBabel::OBMol::GetAtoms() const [function] [call site] 01299
28 OpenBabel::OBRange<OpenBabel::OBAtom*, std::__1::__wrap_iter<OpenBabel::OBAtom* const*> >::begin() const [function] [call site] 01300
28 OpenBabel::OBRange<OpenBabel::OBAtom*, std::__1::__wrap_iter<OpenBabel::OBAtom* const*> >::end() const [function] [call site] 01301
28 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01302
28 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 01303
27 OpenBabel::OBGraphSym::GetSymmetry(std::__1::vector<unsigned int, std::__1::allocator<unsigned int> >&) [function] [call site] 01304
28 OpenBabel::OBGraphSym::ClearSymmetry() [function] [call site] 01305
29 OpenBabel::OBBase::DeleteData(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&) [function] [call site] 01306
28 OpenBabel::OBBase::GetData(char const*) [function] [call site] 01307
28 __dynamic_cast [call site] 01308
28 OpenBabel::OBGraphSymPrivate::CalculateSymmetry(std::__1::vector<unsigned int, std::__1::allocator<unsigned int> >&) [function] [call site] 01309
29 OpenBabel::OBGraphSymPrivate::GetGIVector(std::__1::vector<unsigned int, std::__1::allocator<unsigned int> >&) [function] [call site] 01310
30 OpenBabel::OBMol::NumAtoms() const [function] [call site] 01311
30 OpenBabel::OBGraphSymPrivate::GetGTDVector(std::__1::vector<int, std::__1::allocator<int> >&) [function] [call site] 01312
31 OpenBabel::OBMol::NumAtoms() const [function] [call site] 01313
31 OpenBabel::OBBitVec::OBBitVec() [function] [call site] 01314
31 OpenBabel::OBBitVec::Clear() [function] [call site] 01315
31 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 01316
31 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01317
31 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01318
31 OpenBabel::OBBitVec::Clear() [function] [call site] 01319
31 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 01320
31 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 01321
31 OpenBabel::OBBitVec::IsEmpty() const [function] [call site] 01322
31 OpenBabel::OBBitVec::Clear() [function] [call site] 01323
31 OpenBabel::OBBitVec::NextBit(int) const [function] [call site] 01324
31 OpenBabel::OBBitVec::EndBit() const [function] [call site] 01325
31 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 01326
31 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01327
31 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01328
31 OpenBabel::OBAtom::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01329
31 OpenBabel::OBBond::GetNbrAtomIdx(OpenBabel::OBAtom*) [function] [call site] 01330
32 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01331
31 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01332
31 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01333
31 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01334
31 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 01335
31 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 01336
31 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 01337
31 OpenBabel::OBAtom::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01338
31 OpenBabel::OBBitVec::operator|=(OpenBabel::OBBitVec const&) [function] [call site] 01339
31 OpenBabel::OBBitVec::operator=(OpenBabel::OBBitVec const&) [function] [call site] 01340
31 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 01341
31 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01342
30 OpenBabel::OBBitVec::OBBitVec() [function] [call site] 01343
30 OpenBabel::OBGraphSymPrivate::FindRingAtoms(OpenBabel::OBBitVec&) [function] [call site] 01344
31 OpenBabel::OBMol::NumAtoms() const [function] [call site] 01345
31 OpenBabel::OBBitVec::Resize(unsigned int) [function] [call site] 01346
31 OpenBabel::OBBitVec::Clear() [function] [call site] 01347
31 OpenBabel::OBMol::GetSSSR() [function] [call site] 01348
31 OpenBabel::operator&(OpenBabel::OBBitVec const&, OpenBabel::OBBitVec const&) [function] [call site] 01349
31 OpenBabel::operator==(OpenBabel::OBBitVec const&, OpenBabel::OBBitVec const&) [function] [call site] 01350
31 OpenBabel::OBBitVec::operator|=(OpenBabel::OBBitVec const&) [function] [call site] 01351
31 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01352
30 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 01353
30 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01354
30 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01355
30 OpenBabel::OBGraphSymPrivate::GetHvyDegree(OpenBabel::OBAtom*) [function] [call site] 01356
31 OpenBabel::OBAtom::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01357
31 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 01358
31 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01359
31 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01360
31 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 01361
31 OpenBabel::OBAtom::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01362
30 OpenBabel::OBAtom::IsAromatic() const [function] [call site] 01363
30 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01364
30 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01365
30 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 01366
30 OpenBabel::OBGraphSymPrivate::GetHvyBondSum(OpenBabel::OBAtom*) [function] [call site] 01367
31 OpenBabel::OBAtom::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01368
31 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 01369
31 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01370
31 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01371
31 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 01372
31 OpenBabel::OBBond::IsAromatic() const [function] [call site] 01373
32 OpenBabel::OBBond::GetParent() [function] [call site] 01374
32 OpenBabel::OBMol::HasAromaticPerceived() [function] [call site] 01375
32 TLS wrapper function for OpenBabel::aromtyper [call site] 01376
32 OpenBabel::OBAromaticTyper::AssignAromaticFlags(OpenBabel::OBMol&) [function] [call site] 01377
32 OpenBabel::OBBond::HasFlag(int) const [function] [call site] 01378
31 OpenBabel::OBBond::GetBondOrder() const [function] [call site] 01379
31 OpenBabel::OBAtom::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01380
31 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 01381
31 OpenBabel::OBAtom::IsAromatic() const [function] [call site] 01382
31 OpenBabel::OBAtom::GetTotalDegree() const [function] [call site] 01383
30 OpenBabel::OBAtom::GetFormalCharge() const [function] [call site] 01384
30 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 01385
30 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01386
29 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 01387
29 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01388
29 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01389
29 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 01390
29 OpenBabel::OBGraphSymPrivate::ExtendInvariants(std::__1::vector<std::__1::pair<OpenBabel::OBAtom*, unsigned int>, std::__1::allocator<std::__1::pair<OpenBabel::OBAtom*, unsigned int> > >&) [function] [call site] 01391
30 OpenBabel::OBGraphSymPrivate::CountAndRenumberClasses(std::__1::vector<std::__1::pair<OpenBabel::OBAtom*, unsigned int>, std::__1::allocator<std::__1::pair<OpenBabel::OBAtom*, unsigned int> > >&, unsigned int&) [function] [call site] 01392
31 OpenBabel::ComparePairSecond(std::__1::pair<OpenBabel::OBAtom*, unsigned int> const&, std::__1::pair<OpenBabel::OBAtom*, unsigned int> const&) [function] [call site] 01393
30 OpenBabel::OBBitVec::CountBits() const [function] [call site] 01394
30 OpenBabel::OBGraphSymPrivate::CreateNewClassVector(std::__1::vector<std::__1::pair<OpenBabel::OBAtom*, unsigned int>, std::__1::allocator<std::__1::pair<OpenBabel::OBAtom*, unsigned int> > >&, std::__1::vector<std::__1::pair<OpenBabel::OBAtom*, unsigned int>, std::__1::allocator<std::__1::pair<OpenBabel::OBAtom*, unsigned int> > >&) [function] [call site] 01395
31 OpenBabel::OBMol::NumAtoms() const [function] [call site] 01396
31 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01397
31 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01398
31 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01399
31 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01400
31 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01401
30 OpenBabel::OBGraphSymPrivate::CountAndRenumberClasses(std::__1::vector<std::__1::pair<OpenBabel::OBAtom*, unsigned int>, std::__1::allocator<std::__1::pair<OpenBabel::OBAtom*, unsigned int> > >&, unsigned int&) [function] [call site] 01402
30 OpenBabel::OBGraphSymPrivate::CreateNewClassVector(std::__1::vector<std::__1::pair<OpenBabel::OBAtom*, unsigned int>, std::__1::allocator<std::__1::pair<OpenBabel::OBAtom*, unsigned int> > >&, std::__1::vector<std::__1::pair<OpenBabel::OBAtom*, unsigned int>, std::__1::allocator<std::__1::pair<OpenBabel::OBAtom*, unsigned int> > >&) [function] [call site] 01403
30 OpenBabel::OBGraphSymPrivate::CountAndRenumberClasses(std::__1::vector<std::__1::pair<OpenBabel::OBAtom*, unsigned int>, std::__1::allocator<std::__1::pair<OpenBabel::OBAtom*, unsigned int> > >&, unsigned int&) [function] [call site] 01404
30 OpenBabel::OBGraphSymPrivate::ExtendInvariants(std::__1::vector<std::__1::pair<OpenBabel::OBAtom*, unsigned int>, std::__1::allocator<std::__1::pair<OpenBabel::OBAtom*, unsigned int> > >&) [function] [call site] 01405
29 OpenBabel::OBAtom::GetIndex() const [function] [call site] 01406
29 OpenBabel::OBPairData::OBPairData() [function] [call site] 01407
30 OpenBabel::OBGenericData::OBGenericData(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> >, unsigned int, OpenBabel::DataOrigin) [function] [call site] 01408
29 OpenBabel::OBGenericData::SetAttribute(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&) [function] [call site] 01409
29 OpenBabel::OBGenericData::SetOrigin(OpenBabel::DataOrigin) [function] [call site] 01410
29 OpenBabel::OBPairData::SetValue(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&) [function] [call site] 01411
29 OpenBabel::OBBase::SetData(OpenBabel::OBGenericData*) [function] [call site] 01412
27 OpenBabel::OBGraphSym::~OBGraphSym() [function] [call site] 01413
28 OpenBabel::OBGraphSymPrivate::~OBGraphSymPrivate() [function] [call site] 01414
29 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01415
26 OpenBabel::FindStereogenicUnits(OpenBabel::OBMol*, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&) [function] [call site] 01416
27 OpenBabel::mayHaveTetrahedralCenter(OpenBabel::OBMol*) [function] [call site] 01417
28 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 01418
28 OpenBabel::OBAtom::GetHyb() const [function] [call site] 01419
28 OpenBabel::OBAtom::GetHvyDegree() const [function] [call site] 01420
28 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 01421
27 OpenBabel::mayHaveCisTransBond(OpenBabel::OBMol*) [function] [call site] 01422
28 OpenBabel::OBMol::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01423
28 OpenBabel::OBBond::GetBondOrder() const [function] [call site] 01424
28 OpenBabel::OBMol::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01425
27 OpenBabel::OBMol::NumAtoms() const [function] [call site] 01426
27 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 01427
27 OpenBabel::OBMol::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01428
27 OpenBabel::isPotentialTetrahedral(OpenBabel::OBAtom*) [function] [call site] 01429
28 OpenBabel::OBAtom::GetHyb() const [function] [call site] 01430
28 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 01431
28 OpenBabel::OBAtom::GetTotalDegree() const [function] [call site] 01432
28 OpenBabel::OBAtom::GetHvyDegree() const [function] [call site] 01433
28 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 01434
28 OpenBabel::OBAtom::GetFormalCharge() const [function] [call site] 01435
28 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 01436
29 OpenBabel::OBAtom::GetNbrs() const [function] [call site] 01437
30 OpenBabel::OBAtomAtomIterAdaptor::OBAtomAtomIterAdaptor(std::__1::__wrap_iter<OpenBabel::OBBond* const*>, OpenBabel::OBAtom const*) [function] [call site] 01438
30 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::OBRange(OpenBabel::OBAtomAtomIterAdaptor, OpenBabel::OBAtomAtomIterAdaptor) [function] [call site] 01439
28 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 01440
28 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 01441
28 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 01442
28 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 01443
29 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 01444
29 OpenBabel::OBBond::GetEndAtom() [function] [call site] 01445
28 OpenBabel::OBAtom::IsInRing() const [function] [call site] 01446
28 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 01447
28 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 01448
28 OpenBabel::OBAtom::GetFormalCharge() const [function] [call site] 01449
28 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 01450
28 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 01451
28 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 01452
28 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 01453
28 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 01454
28 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 01455
28 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 01456
28 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 01457
27 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01458
27 OpenBabel::OBAtom::GetIndex() const [function] [call site] 01459
27 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01460
27 OpenBabel::OBAtom::GetIndex() const [function] [call site] 01461
27 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01462
27 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01463
27 OpenBabel::OBAtom::GetId() const [function] [call site] 01464
27 OpenBabel::OBStereoUnit::OBStereoUnit(OpenBabel::OBStereo::Type, unsigned long, bool) [function] [call site] 01465
27 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 01466
27 OpenBabel::OBMol::GetLSSR() [function] [call site] 01467
28 OpenBabel::OBMol::HasLSSRPerceived() [function] [call site] 01468
29 OpenBabel::OBMol::HasFlag(int) [function] [call site] 01469
28 OpenBabel::OBMol::FindLSSR() [function] [call site] 01470
29 OpenBabel::OBMol::HasLSSRPerceived() [function] [call site] 01471
29 OpenBabel::OBMol::SetLSSRPerceived(bool) [function] [call site] 01472
29 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 01473
29 OpenBabel::OBBase::HasData(char const*) [function] [call site] 01474
29 OpenBabel::OBBase::DeleteData(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&) [function] [call site] 01475
29 OpenBabel::DetermineFRJ(OpenBabel::OBMol&) [function] [call site] 01476
29 OpenBabel::OBMol::FindRingAtomsAndBonds() [function] [call site] 01477
29 OpenBabel::OBMol::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01478
29 OpenBabel::OBBond::IsClosure() [function] [call site] 01479
29 OpenBabel::OBMol::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01480
29 OpenBabel::OBRingSearch::OBRingSearch() [function] [call site] 01481
29 OpenBabel::OBRingSearch::AddRingFromClosure(OpenBabel::OBMol&, OpenBabel::OBBond*) [function] [call site] 01482
29 OpenBabel::OBRingSearch::SortRings() [function] [call site] 01483
29 OpenBabel::OBRingSearch::RemoveRedundant(int) [function] [call site] 01484
29 OpenBabel::OBRingSearch::BeginRings() [function] [call site] 01485
29 OpenBabel::OBRingSearch::EndRings() [function] [call site] 01486
29 OpenBabel::OBMol::NumAtoms() const [function] [call site] 01487
29 OpenBabel::OBRing::OBRing(std::__1::vector<int, std::__1::allocator<int> >&, int) [function] [call site] 01488
29 OpenBabel::OBRing::SetParent(OpenBabel::OBMol*) [function] [call site] 01489
29 OpenBabel::OBRingSearch::~OBRingSearch() [function] [call site] 01490
29 OpenBabel::OBRingData::OBRingData() [function] [call site] 01491
29 OpenBabel::OBGenericData::SetOrigin(OpenBabel::DataOrigin) [function] [call site] 01492
29 OpenBabel::OBGenericData::SetAttribute(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&) [function] [call site] 01493
29 OpenBabel::OBRingData::SetData(std::__1::vector<OpenBabel::OBRing*, std::__1::allocator<OpenBabel::OBRing*> >&) [function] [call site] 01494
29 OpenBabel::OBBase::SetData(OpenBabel::OBGenericData*) [function] [call site] 01495
28 OpenBabel::OBBase::GetData(char const*) [function] [call site] 01496
28 __dynamic_cast [call site] 01497
28 OpenBabel::OBBase::DeleteData(OpenBabel::OBGenericData*) [function] [call site] 01498
28 OpenBabel::OBRingData::OBRingData() [function] [call site] 01499
28 OpenBabel::OBGenericData::SetAttribute(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&) [function] [call site] 01500
28 OpenBabel::OBBase::SetData(OpenBabel::OBGenericData*) [function] [call site] 01501
28 OpenBabel::OBGenericData::SetOrigin(OpenBabel::DataOrigin) [function] [call site] 01502
28 OpenBabel::OBRingData::GetData() [function] [call site] 01503
27 OpenBabel::OBBond::IsInRing() const [function] [call site] 01504
27 OpenBabel::OBBond::IsAromatic() const [function] [call site] 01505
27 OpenBabel::OBBond::GetBondOrder() const [function] [call site] 01506
27 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 01507
27 OpenBabel::OBBond::GetEndAtom() [function] [call site] 01508
27 OpenBabel::OBAtom::GetTotalDegree() const [function] [call site] 01509
27 OpenBabel::OBAtom::HasSingleBond() [function] [call site] 01510
28 OpenBabel::OBAtom::HasBondOfOrder(unsigned int) [function] [call site] 01511
29 OpenBabel::OBAtom::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01512
29 OpenBabel::OBBond::GetBondOrder() const [function] [call site] 01513
29 OpenBabel::OBAtom::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01514
27 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 01515
27 OpenBabel::OBAtom::ExplicitHydrogenCount(bool) const [function] [call site] 01516
27 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 01517
27 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01518
27 OpenBabel::OBAtom::GetId() const [function] [call site] 01519
27 OpenBabel::OBAtom::GetIndex() const [function] [call site] 01520
27 OpenBabel::OBBond::GetIdx() const [function] [call site] 01521
27 OpenBabel::OBAtom::GetIndex() const [function] [call site] 01522
27 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01523
27 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 01524
27 OpenBabel::OBAtom::ExplicitHydrogenCount(bool) const [function] [call site] 01525
27 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 01526
27 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01527
27 OpenBabel::OBAtom::GetId() const [function] [call site] 01528
27 OpenBabel::OBAtom::GetIndex() const [function] [call site] 01529
27 OpenBabel::OBBond::GetIdx() const [function] [call site] 01530
27 OpenBabel::OBAtom::GetIndex() const [function] [call site] 01531
27 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01532
27 OpenBabel::OBBond::GetId() const [function] [call site] 01533
27 OpenBabel::OBStereoUnit::OBStereoUnit(OpenBabel::OBStereo::Type, unsigned long, bool) [function] [call site] 01534
27 OpenBabel::OBMol::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01535
27 OpenBabel::StereoRing::StereoRing() [function] [call site] 01536
27 OpenBabel::StereoRing::~StereoRing() [function] [call site] 01537
27 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01538
27 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01539
27 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 01540
27 OpenBabel::OBAtom::GetId() const [function] [call site] 01541
27 OpenBabel::StereoRing::ParaAtom::ParaAtom(unsigned long, unsigned int) [function] [call site] 01542
27 OpenBabel::StereoRing::ParaAtom::~ParaAtom() [function] [call site] 01543
27 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 01544
27 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 01545
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 01546
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 01547
27 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 01548
27 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 01549
27 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01550
27 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01551
27 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 01552
27 OpenBabel::OBMol::GetBond(int) const [function] [call site] 01553
27 OpenBabel::OBBond::GetBeginAtomIdx() const [function] [call site] 01554
27 OpenBabel::OBBond::GetEndAtomIdx() const [function] [call site] 01555
27 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01556
27 OpenBabel::OBBond::GetId() const [function] [call site] 01557
27 OpenBabel::StereoRing::ParaBond::ParaBond(unsigned long, unsigned int, unsigned int) [function] [call site] 01558
27 OpenBabel::StereoRing::ParaBond::~ParaBond() [function] [call site] 01559
27 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 01560
27 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 01561
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 01562
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 01563
27 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 01564
27 OpenBabel::OBBond::GetEndAtom() [function] [call site] 01565
27 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 01566
27 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 01567
27 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01568
27 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 01569
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 01570
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 01571
27 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 01572
27 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 01573
27 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01574
27 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 01575
27 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01576
27 OpenBabel::OBBond::GetId() const [function] [call site] 01577
27 OpenBabel::StereoRing::ParaBond::ParaBond(unsigned long, unsigned int, unsigned int) [function] [call site] 01578
27 OpenBabel::StereoRing::ParaBond::~ParaBond() [function] [call site] 01579
27 OpenBabel::OBBond::GetEndAtom() [function] [call site] 01580
27 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 01581
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 01582
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 01583
27 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 01584
27 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 01585
27 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 01586
27 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 01587
27 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01588
27 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 01589
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 01590
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 01591
27 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 01592
27 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 01593
27 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01594
27 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 01595
27 OpenBabel::StartRule1(std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&, std::__1::vector<OpenBabel::StereoRing, std::__1::allocator<OpenBabel::StereoRing> > const&, std::__1::vector<OpenBabel::OBStereoUnit, std::__1::allocator<OpenBabel::OBStereoUnit> >&, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> >&) [function] [call site] 01596
28 bool OpenBabel::ApplyRule1<OpenBabel::StereoRing::ParaAtom>(OpenBabel::StereoRing::ParaAtom const&, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&, std::__1::vector<OpenBabel::StereoRing, std::__1::allocator<OpenBabel::StereoRing> > const&, std::__1::vector<bool, std::__1::allocator<bool> >&, std::__1::vector<OpenBabel::OBStereoUnit, std::__1::allocator<OpenBabel::OBStereoUnit> > const&, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> >) [function] [call site] 01597
29 OpenBabel::StereoRing::ParaAtom::isInRing(OpenBabel::StereoRing const&) const [function] [call site] 01598
29 OpenBabel::OBAtom::GetIndex() const [function] [call site] 01599
29 bool OpenBabel::ApplyRule1<OpenBabel::StereoRing::ParaAtom>(OpenBabel::StereoRing::ParaAtom const&, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&, std::__1::vector<OpenBabel::StereoRing, std::__1::allocator<OpenBabel::StereoRing> > const&, std::__1::vector<bool, std::__1::allocator<bool> >&, std::__1::vector<OpenBabel::OBStereoUnit, std::__1::allocator<OpenBabel::OBStereoUnit> > const&, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> >) [function] [call site] 01600
30 OpenBabel::OBAtom::GetIndex() const [function] [call site] 01601
30 bool OpenBabel::ApplyRule1<OpenBabel::StereoRing::ParaBond>(OpenBabel::StereoRing::ParaBond const&, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&, std::__1::vector<OpenBabel::StereoRing, std::__1::allocator<OpenBabel::StereoRing> > const&, std::__1::vector<bool, std::__1::allocator<bool> >&, std::__1::vector<OpenBabel::OBStereoUnit, std::__1::allocator<OpenBabel::OBStereoUnit> > const&, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> >) [function] [call site] 01602
31 OpenBabel::StereoRing::ParaBond::isInRing(OpenBabel::StereoRing const&) const [function] [call site] 01603
28 OpenBabel::OBAtom::GetIndex() const [function] [call site] 01604
28 bool OpenBabel::ApplyRule1<OpenBabel::StereoRing::ParaAtom>(OpenBabel::StereoRing::ParaAtom const&, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&, std::__1::vector<OpenBabel::StereoRing, std::__1::allocator<OpenBabel::StereoRing> > const&, std::__1::vector<bool, std::__1::allocator<bool> >&, std::__1::vector<OpenBabel::OBStereoUnit, std::__1::allocator<OpenBabel::OBStereoUnit> > const&, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> >) [function] [call site] 01605
28 bool OpenBabel::checkLigands<OpenBabel::StereoRing::ParaAtom>(OpenBabel::StereoRing::ParaAtom const&, std::__1::vector<OpenBabel::OBStereoUnit, std::__1::allocator<OpenBabel::OBStereoUnit> > const&) [function] [call site] 01606
29 OpenBabel::OBAtom::GetParent() [function] [call site] 01607
29 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 01608
29 OpenBabel::getFragment(OpenBabel::OBAtom*, OpenBabel::OBAtom*) [function] [call site] 01609
30 OpenBabel::OBBitVec::OBBitVec() [function] [call site] 01610
30 OpenBabel::OBAtom::GetId() const [function] [call site] 01611
30 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 01612
30 OpenBabel::addNbrs(OpenBabel::OBBitVec&, OpenBabel::OBAtom*, OpenBabel::OBAtom*) [function] [call site] 01613
31 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 01614
31 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 01615
31 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 01616
31 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 01617
31 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 01618
31 OpenBabel::OBAtom::GetId() const [function] [call site] 01619
31 OpenBabel::OBAtom::GetId() const [function] [call site] 01620
31 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01621
31 OpenBabel::OBAtom::GetId() const [function] [call site] 01622
31 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 01623
31 OpenBabel::addNbrs(OpenBabel::OBBitVec&, OpenBabel::OBAtom*, OpenBabel::OBAtom*) [function] [call site] 01624
32 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 01625
30 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01626
29 OpenBabel::isUnitInFragment(OpenBabel::OBMol*, OpenBabel::OBStereoUnit const&, OpenBabel::OBBitVec const&) [function] [call site] 01627
30 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01628
30 OpenBabel::OBMol::GetBondById(unsigned long) const [function] [call site] 01629
31 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 01630
30 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 01631
30 OpenBabel::OBBond::GetEndAtom() [function] [call site] 01632
30 OpenBabel::OBAtom::GetId() const [function] [call site] 01633
30 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01634
29 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01635
28 OpenBabel::OBAtom::GetParent() [function] [call site] 01636
28 OpenBabel::OBMol::GetAtomById(unsigned long) const [function] [call site] 01637
29 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 01638
28 OpenBabel::OBAtom::GetId() const [function] [call site] 01639
28 OpenBabel::OBStereoUnit::OBStereoUnit(OpenBabel::OBStereo::Type, unsigned long, bool) [function] [call site] 01640
28 bool OpenBabel::ApplyRule1<OpenBabel::StereoRing::ParaBond>(OpenBabel::StereoRing::ParaBond const&, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&, std::__1::vector<OpenBabel::StereoRing, std::__1::allocator<OpenBabel::StereoRing> > const&, std::__1::vector<bool, std::__1::allocator<bool> >&, std::__1::vector<OpenBabel::OBStereoUnit, std::__1::allocator<OpenBabel::OBStereoUnit> > const&, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> >) [function] [call site] 01641
28 OpenBabel::OBAtom::GetIndex() const [function] [call site] 01642
28 bool OpenBabel::ApplyRule1<OpenBabel::StereoRing::ParaBond>(OpenBabel::StereoRing::ParaBond const&, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&, std::__1::vector<OpenBabel::StereoRing, std::__1::allocator<OpenBabel::StereoRing> > const&, std::__1::vector<bool, std::__1::allocator<bool> >&, std::__1::vector<OpenBabel::OBStereoUnit, std::__1::allocator<OpenBabel::OBStereoUnit> > const&, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> >) [function] [call site] 01643
28 bool OpenBabel::checkLigands<OpenBabel::StereoRing::ParaBond>(OpenBabel::StereoRing::ParaBond const&, std::__1::vector<OpenBabel::OBStereoUnit, std::__1::allocator<OpenBabel::OBStereoUnit> > const&) [function] [call site] 01644
28 OpenBabel::OBAtom::GetParent() [function] [call site] 01645
28 OpenBabel::OBMol::GetBondById(unsigned long) const [function] [call site] 01646
28 OpenBabel::OBBond::GetId() const [function] [call site] 01647
28 OpenBabel::OBStereoUnit::OBStereoUnit(OpenBabel::OBStereo::Type, unsigned long, bool) [function] [call site] 01648
27 OpenBabel::mergeRings(OpenBabel::OBMol*, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&) [function] [call site] 01649
28 OpenBabel::OBMol::GetSSSR() [function] [call site] 01650
28 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01651
28 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 01652
28 OpenBabel::classifyTetrahedralNbrSymClasses(std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&, OpenBabel::OBAtom*) [function] [call site] 01653
29 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 01654
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 01655
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 01656
29 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 01657
29 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 01658
29 OpenBabel::OBAtom::GetIndex() const [function] [call site] 01659
29 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 01660
28 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 01661
28 OpenBabel::OBBitVec::OBBitVec() [function] [call site] 01662
28 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 01663
28 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01664
27 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 01665
27 OpenBabel::OBAtom::GetId() const [function] [call site] 01666
27 OpenBabel::classifyTetrahedralNbrSymClasses(std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&, OpenBabel::OBAtom*) [function] [call site] 01667
27 OpenBabel::findDuplicatedSymmetryClass(OpenBabel::OBAtom*, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&) [function] [call site] 01668
28 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 01669
28 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 01670
28 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 01671
28 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 01672
28 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 01673
28 OpenBabel::OBAtom::GetIndex() const [function] [call site] 01674
28 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 01675
27 OpenBabel::findAtomWithSymmetryClass(OpenBabel::OBAtom*, unsigned int, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&) [function] [call site] 01676
28 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 01677
28 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 01678
28 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 01679
28 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 01680
28 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 01681
28 OpenBabel::OBAtom::GetIndex() const [function] [call site] 01682
28 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 01683
27 OpenBabel::containsAtLeast_1true_2para(OpenBabel::OBAtom*, OpenBabel::OBAtom*, std::__1::vector<OpenBabel::OBStereoUnit, std::__1::allocator<OpenBabel::OBStereoUnit> > const&) [function] [call site] 01684
28 OpenBabel::OBAtom::GetParent() [function] [call site] 01685
28 OpenBabel::getFragment(OpenBabel::OBAtom*, OpenBabel::OBAtom*) [function] [call site] 01686
28 OpenBabel::isUnitInFragment(OpenBabel::OBMol*, OpenBabel::OBStereoUnit const&, OpenBabel::OBBitVec const&) [function] [call site] 01687
28 OpenBabel::OBAtom::IsInRing() const [function] [call site] 01688
28 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01689
27 OpenBabel::OBAtom::GetId() const [function] [call site] 01690
27 OpenBabel::OBStereoUnit::OBStereoUnit(OpenBabel::OBStereo::Type, unsigned long, bool) [function] [call site] 01691
27 OpenBabel::findDuplicatedSymmetryClasses(OpenBabel::OBAtom*, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&, unsigned int&, unsigned int&) [function] [call site] 01692
28 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 01693
28 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 01694
28 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 01695
28 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 01696
28 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 01697
28 OpenBabel::OBAtom::GetIndex() const [function] [call site] 01698
28 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 01699
27 OpenBabel::findAtomWithSymmetryClass(OpenBabel::OBAtom*, unsigned int, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&) [function] [call site] 01700
27 OpenBabel::findAtomWithSymmetryClass(OpenBabel::OBAtom*, unsigned int, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&) [function] [call site] 01701
27 OpenBabel::containsAtLeast_1true_2para(OpenBabel::OBAtom*, OpenBabel::OBAtom*, std::__1::vector<OpenBabel::OBStereoUnit, std::__1::allocator<OpenBabel::OBStereoUnit> > const&) [function] [call site] 01702
27 OpenBabel::containsAtLeast_1true_2para(OpenBabel::OBAtom*, OpenBabel::OBAtom*, std::__1::vector<OpenBabel::OBStereoUnit, std::__1::allocator<OpenBabel::OBStereoUnit> > const&) [function] [call site] 01703
27 OpenBabel::OBAtom::GetId() const [function] [call site] 01704
27 OpenBabel::OBStereoUnit::OBStereoUnit(OpenBabel::OBStereo::Type, unsigned long, bool) [function] [call site] 01705
27 OpenBabel::findDuplicatedSymmetryClass(OpenBabel::OBAtom*, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&) [function] [call site] 01706
27 OpenBabel::findAtomWithSymmetryClass(OpenBabel::OBAtom*, unsigned int, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&) [function] [call site] 01707
27 OpenBabel::containsAtLeast_2true_2paraAssemblies(OpenBabel::OBAtom*, OpenBabel::OBAtom*, std::__1::vector<OpenBabel::OBStereoUnit, std::__1::allocator<OpenBabel::OBStereoUnit> > const&, std::__1::vector<OpenBabel::OBBitVec, std::__1::allocator<OpenBabel::OBBitVec> > const&) [function] [call site] 01708
28 OpenBabel::OBAtom::GetParent() [function] [call site] 01709
28 OpenBabel::getFragment(OpenBabel::OBAtom*, OpenBabel::OBAtom*) [function] [call site] 01710
28 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01711
28 OpenBabel::OBMol::GetAtomById(unsigned long) const [function] [call site] 01712
28 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01713
28 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01714
28 OpenBabel::OBMol::GetBondById(unsigned long) const [function] [call site] 01715
28 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 01716
28 OpenBabel::OBBond::GetEndAtom() [function] [call site] 01717
28 OpenBabel::OBAtom::GetId() const [function] [call site] 01718
28 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01719
28 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01720
28 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01721
28 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01722
27 OpenBabel::OBAtom::GetId() const [function] [call site] 01723
27 OpenBabel::OBStereoUnit::OBStereoUnit(OpenBabel::OBStereo::Type, unsigned long, bool) [function] [call site] 01724
27 OpenBabel::findDuplicatedSymmetryClass(OpenBabel::OBAtom*, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&) [function] [call site] 01725
27 OpenBabel::findAtomWithSymmetryClass(OpenBabel::OBAtom*, unsigned int, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&) [function] [call site] 01726
27 OpenBabel::containsAtLeast_2true_2paraAssemblies(OpenBabel::OBAtom*, OpenBabel::OBAtom*, std::__1::vector<OpenBabel::OBStereoUnit, std::__1::allocator<OpenBabel::OBStereoUnit> > const&, std::__1::vector<OpenBabel::OBBitVec, std::__1::allocator<OpenBabel::OBBitVec> > const&) [function] [call site] 01727
27 OpenBabel::OBAtom::GetId() const [function] [call site] 01728
27 OpenBabel::OBStereoUnit::OBStereoUnit(OpenBabel::OBStereo::Type, unsigned long, bool) [function] [call site] 01729
27 OpenBabel::OBMol::GetBond(int) const [function] [call site] 01730
27 OpenBabel::OBBond::GetId() const [function] [call site] 01731
27 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 01732
27 OpenBabel::OBBond::GetEndAtom() [function] [call site] 01733
27 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 01734
27 OpenBabel::classifyCisTransNbrSymClasses(std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&, OpenBabel::OBBond*, OpenBabel::OBAtom*) [function] [call site] 01735
28 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 01736
28 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 01737
28 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 01738
28 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 01739
28 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 01740
28 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01741
28 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 01742
28 OpenBabel::OBAtom::GetIndex() const [function] [call site] 01743
28 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 01744
27 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 01745
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 01746
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 01747
27 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 01748
27 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 01749
27 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01750
27 OpenBabel::OBBond::GetBeginAtomIdx() const [function] [call site] 01751
27 OpenBabel::OBBond::GetEndAtomIdx() const [function] [call site] 01752
27 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 01753
27 OpenBabel::getFragment(OpenBabel::OBAtom*, OpenBabel::OBAtom*) [function] [call site] 01754
27 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01755
27 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01756
27 OpenBabel::OBMol::GetBondById(unsigned long) const [function] [call site] 01757
27 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 01758
27 OpenBabel::OBBond::GetEndAtom() [function] [call site] 01759
27 OpenBabel::OBAtom::GetId() const [function] [call site] 01760
27 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01761
27 OpenBabel::OBBond::GetEndAtom() [function] [call site] 01762
27 OpenBabel::classifyCisTransNbrSymClasses(std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&, OpenBabel::OBBond*, OpenBabel::OBAtom*) [function] [call site] 01763
27 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 01764
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 01765
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 01766
27 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 01767
27 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 01768
27 OpenBabel::OBAtom::GetIdx() const [function] [call site] 01769
27 OpenBabel::OBBond::GetBeginAtomIdx() const [function] [call site] 01770
27 OpenBabel::OBBond::GetEndAtomIdx() const [function] [call site] 01771
27 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 01772
27 OpenBabel::getFragment(OpenBabel::OBAtom*, OpenBabel::OBAtom*) [function] [call site] 01773
27 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 01774
27 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01775
27 OpenBabel::OBMol::GetBondById(unsigned long) const [function] [call site] 01776
27 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 01777
27 OpenBabel::OBBond::GetEndAtom() [function] [call site] 01778
27 OpenBabel::OBAtom::GetId() const [function] [call site] 01779
27 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 01780
27 OpenBabel::OBBond::GetId() const [function] [call site] 01781
27 OpenBabel::OBStereoUnit::OBStereoUnit(OpenBabel::OBStereo::Type, unsigned long, bool) [function] [call site] 01782
26 OpenBabel::OBBase::DeleteData(unsigned int) [function] [call site] 01783
26 OpenBabel::TetrahedralFrom3D(OpenBabel::OBMol*, std::__1::vector<OpenBabel::OBStereoUnit, std::__1::allocator<OpenBabel::OBStereoUnit> > const&, bool) [function] [call site] 01784
27 OpenBabel::OBBase::GetData(unsigned int) [function] [call site] 01785
28 OpenBabel::OBGenericData::GetDataType() const [function] [call site] 01786
27 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 01787
27 OpenBabel::OBMol::GetAtomById(unsigned long) const [function] [call site] 01788
27 OpenBabel::OBAtom::GetHvyDegree() const [function] [call site] 01789
27 OpenBabel::OBAtom::GetHvyDegree() const [function] [call site] 01790
27 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 01791
27 OpenBabel::OBTetrahedralStereo::Config::Config() [function] [call site] 01792
27 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 01793
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 01794
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 01795
27 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 01796
27 OpenBabel::OBMol::GetAtomById(unsigned long) const [function] [call site] 01797
27 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 01798
27 OpenBabel::OBAtom::GetId() const [function] [call site] 01799
27 OpenBabel::OBAtom::GetId() const [function] [call site] 01800
27 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 01801
27 OpenBabel::OBMol::GetBond(OpenBabel::OBAtom*, OpenBabel::OBAtom*) const [function] [call site] 01802
27 OpenBabel::OBBond::IsWedgeOrHash() const [function] [call site] 01803
28 OpenBabel::OBBond::HasFlag(int) const [function] [call site] 01804
27 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 01805
27 OpenBabel::OBAtom::GetVector() [function] [call site] 01806
27 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 01807
27 OpenBabel::OBAtom::GetVector() [function] [call site] 01808
27 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 01809
27 OpenBabel::OBUnitCell::UnwrapCartesianNear(OpenBabel::vector3, OpenBabel::vector3) [function] [call site] 01810
28 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 01811
28 OpenBabel::OBUnitCell::UnwrapCartesianNear(OpenBabel::vector3, OpenBabel::vector3) const [function] [call site] 01812
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 01813
30 OpenBabel::vector3::x() const [function] [call site] 01814
30 OpenBabel::vector3::y() const [function] [call site] 01815
30 OpenBabel::vector3::z() const [function] [call site] 01816
30 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 01817
29 OpenBabel::OBUnitCell::MinimumImageCartesian(OpenBabel::vector3) const [function] [call site] 01818
30 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 01819
30 OpenBabel::OBUnitCell::CartesianToFractional(OpenBabel::vector3) const [function] [call site] 01820
31 OpenBabel::matrix3x3::inverse() const [function] [call site] 01821
32 OpenBabel::matrix3x3::determinant() const [function] [call site] 01822
32 OpenBabel::matrix3x3::matrix3x3() [function] [call site] 01823
32 OpenBabel::matrix3x3::operator/=(double const&) [function] [call site] 01824
33 OpenBabel::matrix3x3::operator*=(double const&) [function] [call site] 01825
32 OpenBabel::matrix3x3::~matrix3x3() [function] [call site] 01826
31 OpenBabel::operator*(OpenBabel::matrix3x3 const&, OpenBabel::matrix3x3 const&) [function] [call site] 01827
32 OpenBabel::matrix3x3::matrix3x3() [function] [call site] 01828
31 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 01829
31 OpenBabel::operator*(OpenBabel::matrix3x3 const&, OpenBabel::vector3 const&) [function] [call site] 01830
32 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 01831
32 OpenBabel::vector3::x() const [function] [call site] 01832
32 OpenBabel::vector3::y() const [function] [call site] 01833
32 OpenBabel::vector3::z() const [function] [call site] 01834
32 OpenBabel::vector3::x() [function] [call site] 01835
32 OpenBabel::vector3::x() const [function] [call site] 01836
32 OpenBabel::vector3::y() const [function] [call site] 01837
32 OpenBabel::vector3::z() const [function] [call site] 01838
32 OpenBabel::vector3::y() [function] [call site] 01839
32 OpenBabel::vector3::x() const [function] [call site] 01840
32 OpenBabel::vector3::y() const [function] [call site] 01841
32 OpenBabel::vector3::z() const [function] [call site] 01842
32 OpenBabel::vector3::z() [function] [call site] 01843
31 OpenBabel::vector3::~vector3() [function] [call site] 01844
31 OpenBabel::matrix3x3::~matrix3x3() [function] [call site] 01845
30 OpenBabel::vector3::~vector3() [function] [call site] 01846
30 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 01847
30 OpenBabel::OBUnitCell::MinimumImageFractional(OpenBabel::vector3) const [function] [call site] 01848
31 OpenBabel::vector3::x() [function] [call site] 01849
31 OpenBabel::vector3::y() [function] [call site] 01850
31 OpenBabel::vector3::z() [function] [call site] 01851
31 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 01852
30 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 01853
30 OpenBabel::vector3::~vector3() [function] [call site] 01854
30 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 01855
30 OpenBabel::OBUnitCell::FractionalToCartesian(OpenBabel::vector3) const [function] [call site] 01856
31 OpenBabel::operator*(OpenBabel::matrix3x3 const&, OpenBabel::matrix3x3 const&) [function] [call site] 01857
31 OpenBabel::operator*(OpenBabel::matrix3x3 const&, OpenBabel::vector3 const&) [function] [call site] 01858
31 OpenBabel::operator+(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 01859
32 OpenBabel::vector3::x() const [function] [call site] 01860
32 OpenBabel::vector3::y() const [function] [call site] 01861
32 OpenBabel::vector3::z() const [function] [call site] 01862
32 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 01863
31 OpenBabel::vector3::~vector3() [function] [call site] 01864
31 OpenBabel::matrix3x3::~matrix3x3() [function] [call site] 01865
30 OpenBabel::vector3::~vector3() [function] [call site] 01866
30 OpenBabel::vector3::~vector3() [function] [call site] 01867
30 OpenBabel::vector3::~vector3() [function] [call site] 01868
29 OpenBabel::vector3::~vector3() [function] [call site] 01869
29 OpenBabel::operator+(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 01870
29 OpenBabel::vector3::~vector3() [function] [call site] 01871
28 OpenBabel::vector3::~vector3() [function] [call site] 01872
27 OpenBabel::vector3::~vector3() [function] [call site] 01873
27 OpenBabel::OBAtom::GetVector() [function] [call site] 01874
27 OpenBabel::OBMol::GetAtomById(unsigned long) const [function] [call site] 01875
27 OpenBabel::OBAtom::GetVector() [function] [call site] 01876
27 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 01877
27 OpenBabel::OBUnitCell::UnwrapCartesianNear(OpenBabel::vector3, OpenBabel::vector3) [function] [call site] 01878
27 OpenBabel::vector3::~vector3() [function] [call site] 01879
27 OpenBabel::OBAtom::GetVector() [function] [call site] 01880
27 OpenBabel::OBMol::GetBond(OpenBabel::OBAtom*, OpenBabel::OBAtom*) const [function] [call site] 01881
27 OpenBabel::OBBond::IsWedgeOrHash() const [function] [call site] 01882
27 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 01883
27 OpenBabel::VolumeSign(OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 01884
28 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 01885
28 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 01886
28 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 01887
28 OpenBabel::vector3::~vector3() [function] [call site] 01888
28 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 01889
28 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 01890
28 OpenBabel::vector3::~vector3() [function] [call site] 01891
28 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 01892
28 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 01893
28 OpenBabel::vector3::~vector3() [function] [call site] 01894
28 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 01895
28 OpenBabel::matrix3x3::matrix3x3(OpenBabel::vector3, OpenBabel::vector3, OpenBabel::vector3) [function] [call site] 01896
29 OpenBabel::vector3::x() [function] [call site] 01897
29 OpenBabel::vector3::y() [function] [call site] 01898
29 OpenBabel::vector3::z() [function] [call site] 01899
29 OpenBabel::vector3::x() [function] [call site] 01900
29 OpenBabel::vector3::y() [function] [call site] 01901
29 OpenBabel::vector3::z() [function] [call site] 01902
29 OpenBabel::vector3::x() [function] [call site] 01903
29 OpenBabel::vector3::y() [function] [call site] 01904
29 OpenBabel::vector3::z() [function] [call site] 01905
28 OpenBabel::vector3::~vector3() [function] [call site] 01906
28 OpenBabel::matrix3x3::determinant() const [function] [call site] 01907
28 OpenBabel::matrix3x3::~matrix3x3() [function] [call site] 01908
28 OpenBabel::vector3::~vector3() [function] [call site] 01909
27 OpenBabel::OBTetrahedralStereo::OBTetrahedralStereo(OpenBabel::OBMol*) [function] [call site] 01910
28 OpenBabel::OBTetraNonPlanarStereo::OBTetraNonPlanarStereo(OpenBabel::OBMol*) [function] [call site] 01911
29 OpenBabel::OBStereoBase::OBStereoBase(OpenBabel::OBMol*) [function] [call site] 01912
30 OpenBabel::OBGenericData::OBGenericData(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> >, unsigned int, OpenBabel::DataOrigin) [function] [call site] 01913
28 OpenBabel::OBTetrahedralStereo::Config::Config() [function] [call site] 01914
27 OpenBabel::OBTetrahedralStereo::SetConfig(OpenBabel::OBTetrahedralStereo::Config const&) [function] [call site] 01915
27 OpenBabel::OBBase::SetData(OpenBabel::OBGenericData*) [function] [call site] 01916
27 OpenBabel::vector3::~vector3() [function] [call site] 01917
27 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 01918
26 OpenBabel::CisTransFrom3D(OpenBabel::OBMol*, std::__1::vector<OpenBabel::OBStereoUnit, std::__1::allocator<OpenBabel::OBStereoUnit> > const&, bool) [function] [call site] 01919
27 OpenBabel::OBBase::GetData(unsigned int) [function] [call site] 01920
27 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 01921
27 OpenBabel::OBMol::GetBondById(unsigned long) const [function] [call site] 01922
27 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 01923
27 OpenBabel::OBBond::GetEndAtom() [function] [call site] 01924
27 OpenBabel::OBCisTransStereo::Config::Config() [function] [call site] 01925
27 OpenBabel::OBAtom::GetId() const [function] [call site] 01926
27 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 01927
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 01928
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 01929
27 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 01930
27 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 01931
27 OpenBabel::OBAtom::GetId() const [function] [call site] 01932
27 OpenBabel::OBAtom::GetId() const [function] [call site] 01933
27 OpenBabel::OBAtom::GetVector() [function] [call site] 01934
27 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 01935
27 OpenBabel::vector3::~vector3() [function] [call site] 01936
27 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 01937
27 OpenBabel::OBAtom::GetVector() [function] [call site] 01938
27 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 01939
27 OpenBabel::OBUnitCell::MinimumImageCartesian(OpenBabel::vector3) [function] [call site] 01940
28 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 01941
28 OpenBabel::OBUnitCell::MinimumImageCartesian(OpenBabel::vector3) const [function] [call site] 01942
28 OpenBabel::vector3::~vector3() [function] [call site] 01943
27 OpenBabel::vector3::~vector3() [function] [call site] 01944
27 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 01945
27 OpenBabel::OBAtom::GetNewBondVector(OpenBabel::vector3&, double) [function] [call site] 01946
28 OpenBabel::OBBuilder::GetNewBondVector(OpenBabel::OBAtom*, double) [function] [call site] 01947
29 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 01948
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 01949
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 01950
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 01951
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 01952
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 01953
29 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 01954
29 OpenBabel::OBAtom::GetParent() [function] [call site] 01955
29 OpenBabel::OBMol::GetDimension() const [function] [call site] 01956
29 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 01957
29 OpenBabel::OBAtom::GetVector() [function] [call site] 01958
29 OpenBabel::operator*(OpenBabel::vector3 const&, double const&) [function] [call site] 01959
30 OpenBabel::vector3::x() const [function] [call site] 01960
30 OpenBabel::vector3::y() const [function] [call site] 01961
30 OpenBabel::vector3::z() const [function] [call site] 01962
30 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 01963
29 OpenBabel::operator+(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 01964
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 01965
29 OpenBabel::vector3::~vector3() [function] [call site] 01966
29 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 01967
29 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 01968
29 OpenBabel::OBAtom::IsCarboxylOxygen() [function] [call site] 01969
30 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 01970
30 OpenBabel::OBAtom::GetHvyDegree() const [function] [call site] 01971
30 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 01972
30 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 01973
30 OpenBabel::OBAtom::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01974
30 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 01975
30 OpenBabel::OBAtom::CountFreeOxygens() const [function] [call site] 01976
31 OpenBabel::OBAtom::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01977
31 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 01978
31 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 01979
31 OpenBabel::OBAtom::GetHvyDegree() const [function] [call site] 01980
31 OpenBabel::OBAtom::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01981
30 OpenBabel::OBAtom::CountFreeOxygens() const [function] [call site] 01982
30 OpenBabel::OBAtom::CountFreeSulfurs() const [function] [call site] 01983
31 OpenBabel::OBAtom::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01984
31 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 01985
31 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 01986
31 OpenBabel::OBAtom::GetHvyDegree() const [function] [call site] 01987
31 OpenBabel::OBAtom::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 01988
29 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 01989
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 01990
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 01991
29 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 01992
29 OpenBabel::vector3::normalize() [function] [call site] 01993
30 OpenBabel::vector3::length() const [function] [call site] 01994
31 OpenBabel::vector3::length_2() const [function] [call site] 01995
31 sqrt [call site] 01996
30 OpenBabel::vector3::operator/=(double const&) [function] [call site] 01997
31 OpenBabel::vector3::operator*=(double const&) [function] [call site] 01998
29 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 01999
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02000
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02001
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02002
29 OpenBabel::vector3::~vector3() [function] [call site] 02003
29 OpenBabel::OBAtom::GetHyb() const [function] [call site] 02004
29 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 02005
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 02006
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 02007
29 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 02008
29 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 02009
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02010
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02011
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02012
29 OpenBabel::vector3::~vector3() [function] [call site] 02013
29 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 02014
29 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 02015
29 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 02016
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02017
29 OpenBabel::cross(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02018
30 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 02019
30 OpenBabel::vector3::y() const [function] [call site] 02020
30 OpenBabel::vector3::z() const [function] [call site] 02021
30 OpenBabel::vector3::x() [function] [call site] 02022
30 OpenBabel::vector3::x() const [function] [call site] 02023
30 OpenBabel::vector3::z() const [function] [call site] 02024
30 OpenBabel::vector3::y() [function] [call site] 02025
30 OpenBabel::vector3::x() const [function] [call site] 02026
30 OpenBabel::vector3::y() const [function] [call site] 02027
30 OpenBabel::vector3::z() [function] [call site] 02028
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02029
29 OpenBabel::vector3::~vector3() [function] [call site] 02030
29 OpenBabel::vector3::length_2() const [function] [call site] 02031
29 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 02032
29 OpenBabel::vector3::randomUnitVector() [function] [call site] 02033
30 __cxa_guard_acquire [call site] 02034
30 OpenBabel::OBRandomMT::OBRandomMT() [function] [call site] 02035
31 OpenBabel::OBRandomMT::randomSeed() const [function] [call site] 02036
32 getenv [call site] 02037
32 atol [call site] 02038
31 OpenBabel::OBRandomMT::OBRandomMT(unsigned long) [function] [call site] 02039
30 __cxa_atexit [call site] 02040
30 OpenBabel::OBRandomMT::~OBRandomMT() [function] [call site] 02041
30 __cxa_guard_release [call site] 02042
30 double OpenBabel::OBRandomMT::UniformReal<double>(double, double) const [function] [call site] 02043
30 OpenBabel::vector3::Set(double, double, double) [function] [call site] 02044
30 OpenBabel::vector3::length_2() const [function] [call site] 02045
30 OpenBabel::vector3::normalize() [function] [call site] 02046
30 __cxa_guard_abort [call site] 02047
29 OpenBabel::dot(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02048
30 OpenBabel::vector3::x() const [function] [call site] 02049
30 OpenBabel::vector3::y() const [function] [call site] 02050
30 OpenBabel::vector3::z() const [function] [call site] 02051
29 acos [call site] 02052
29 OpenBabel::vector3::randomUnitVector() [function] [call site] 02053
29 OpenBabel::cross(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02054
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02055
29 OpenBabel::vector3::~vector3() [function] [call site] 02056
29 OpenBabel::vector3::~vector3() [function] [call site] 02057
29 OpenBabel::cross(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02058
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02059
29 OpenBabel::vector3::~vector3() [function] [call site] 02060
29 OpenBabel::vector3::normalize() [function] [call site] 02061
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02062
29 OpenBabel::OBAtom::GetHyb() const [function] [call site] 02063
29 OpenBabel::OBAtom::GetParent() [function] [call site] 02064
29 OpenBabel::OBStereoFacade::OBStereoFacade(OpenBabel::OBMol*, bool) [function] [call site] 02065
29 OpenBabel::OBAtom::GetId() const [function] [call site] 02066
29 OpenBabel::OBStereoFacade::HasSquarePlanarStereo(unsigned long) [function] [call site] 02067
30 OpenBabel::OBStereoFacade::EnsureInit() [function] [call site] 02068
29 OpenBabel::OBAtom::SetHyb(int) [function] [call site] 02069
29 OpenBabel::OBStereoFacade::~OBStereoFacade() [function] [call site] 02070
29 OpenBabel::OBAtom::GetHyb() const [function] [call site] 02071
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02072
29 OpenBabel::OBAtom::GetHyb() const [function] [call site] 02073
29 OpenBabel::operator*(OpenBabel::vector3 const&, double const&) [function] [call site] 02074
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02075
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02076
29 OpenBabel::vector3::~vector3() [function] [call site] 02077
29 OpenBabel::OBAtom::GetHyb() const [function] [call site] 02078
29 OpenBabel::operator*(OpenBabel::vector3 const&, double const&) [function] [call site] 02079
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02080
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02081
29 OpenBabel::vector3::~vector3() [function] [call site] 02082
29 OpenBabel::OBAtom::GetHyb() const [function] [call site] 02083
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02084
29 OpenBabel::OBAtom::GetHyb() const [function] [call site] 02085
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02086
29 OpenBabel::OBAtom::GetHyb() const [function] [call site] 02087
29 OpenBabel::operator*(OpenBabel::vector3 const&, double const&) [function] [call site] 02088
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02089
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02090
29 OpenBabel::vector3::~vector3() [function] [call site] 02091
29 OpenBabel::vector3::normalize() [function] [call site] 02092
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02093
29 OpenBabel::vector3::operator*=(double const&) [function] [call site] 02094
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02095
29 OpenBabel::vector3::operator+=(OpenBabel::vector3 const&) [function] [call site] 02096
29 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02097
29 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 02098
29 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 02099
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 02100
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 02101
29 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 02102
29 OpenBabel::vector3::normalize() [function] [call site] 02103
29 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 02104
29 OpenBabel::vector3::length_2() const [function] [call site] 02105
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02106
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02107
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02108
29 OpenBabel::vector3::~vector3() [function] [call site] 02109
29 OpenBabel::vector3::length_2() const [function] [call site] 02110
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02111
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02112
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02113
29 OpenBabel::vector3::~vector3() [function] [call site] 02114
29 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 02115
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02116
29 OpenBabel::vector3::normalize() [function] [call site] 02117
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02118
29 OpenBabel::operator+(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02119
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02120
29 OpenBabel::vector3::~vector3() [function] [call site] 02121
29 OpenBabel::vector3::normalize() [function] [call site] 02122
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02123
29 OpenBabel::OBAtom::GetHyb() const [function] [call site] 02124
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02125
29 OpenBabel::OBAtom::GetHyb() const [function] [call site] 02126
29 OpenBabel::cross(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02127
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02128
29 OpenBabel::vector3::~vector3() [function] [call site] 02129
29 OpenBabel::vector3::normalize() [function] [call site] 02130
29 OpenBabel::operator*(OpenBabel::vector3 const&, double const&) [function] [call site] 02131
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02132
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02133
29 OpenBabel::vector3::~vector3() [function] [call site] 02134
29 OpenBabel::operator*(OpenBabel::vector3 const&, double const&) [function] [call site] 02135
29 OpenBabel::operator+(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02136
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02137
29 OpenBabel::vector3::~vector3() [function] [call site] 02138
29 OpenBabel::OBAtom::GetHyb() const [function] [call site] 02139
29 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 02140
29 OpenBabel::vector3::randomUnitVector() [function] [call site] 02141
29 OpenBabel::vector3::randomUnitVector() [function] [call site] 02142
29 OpenBabel::cross(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02143
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02144
29 OpenBabel::vector3::~vector3() [function] [call site] 02145
29 OpenBabel::vector3::normalize() [function] [call site] 02146
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02147
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02148
29 OpenBabel::vector3::~vector3() [function] [call site] 02149
29 OpenBabel::OBAtom::GetHyb() const [function] [call site] 02150
29 OpenBabel::cross(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02151
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02152
29 OpenBabel::vector3::~vector3() [function] [call site] 02153
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02154
29 OpenBabel::vector3::normalize() [function] [call site] 02155
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02156
29 OpenBabel::vector3::operator*=(double const&) [function] [call site] 02157
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02158
29 OpenBabel::vector3::operator+=(OpenBabel::vector3 const&) [function] [call site] 02159
29 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02160
29 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 02161
29 OpenBabel::OBAtom::GetHyb() const [function] [call site] 02162
29 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 02163
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 02164
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 02165
29 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 02166
29 OpenBabel::vector3::normalize() [function] [call site] 02167
29 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 02168
29 OpenBabel::vector3::length_2() const [function] [call site] 02169
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02170
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02171
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02172
29 OpenBabel::vector3::~vector3() [function] [call site] 02173
29 OpenBabel::vector3::length_2() const [function] [call site] 02174
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02175
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02176
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02177
29 OpenBabel::vector3::~vector3() [function] [call site] 02178
29 OpenBabel::vector3::length_2() const [function] [call site] 02179
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02180
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02181
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02182
29 OpenBabel::vector3::~vector3() [function] [call site] 02183
29 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 02184
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02185
29 OpenBabel::vector3::normalize() [function] [call site] 02186
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02187
29 OpenBabel::vector3::normalize() [function] [call site] 02188
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02189
29 OpenBabel::operator+(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02190
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02191
29 OpenBabel::vector3::~vector3() [function] [call site] 02192
29 OpenBabel::vector3::normalize() [function] [call site] 02193
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02194
29 OpenBabel::vector3::operator*=(double const&) [function] [call site] 02195
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02196
29 OpenBabel::vector3::operator+=(OpenBabel::vector3 const&) [function] [call site] 02197
29 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02198
29 OpenBabel::OBAtom::GetHyb() const [function] [call site] 02199
29 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 02200
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 02201
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 02202
29 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 02203
29 OpenBabel::vector3::normalize() [function] [call site] 02204
29 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 02205
29 OpenBabel::vector3::length_2() const [function] [call site] 02206
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02207
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02208
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02209
29 OpenBabel::vector3::~vector3() [function] [call site] 02210
29 OpenBabel::vector3::length_2() const [function] [call site] 02211
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02212
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02213
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02214
29 OpenBabel::vector3::~vector3() [function] [call site] 02215
29 OpenBabel::vector3::length_2() const [function] [call site] 02216
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02217
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02218
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02219
29 OpenBabel::vector3::~vector3() [function] [call site] 02220
29 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 02221
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02222
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02223
29 OpenBabel::vector3::normalize() [function] [call site] 02224
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02225
29 OpenBabel::vector3::operator*=(double const&) [function] [call site] 02226
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02227
29 OpenBabel::vector3::operator+=(OpenBabel::vector3 const&) [function] [call site] 02228
29 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02229
29 OpenBabel::OBAtom::GetHyb() const [function] [call site] 02230
29 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 02231
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 02232
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 02233
29 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 02234
29 OpenBabel::vector3::normalize() [function] [call site] 02235
29 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 02236
29 OpenBabel::vector3::length_2() const [function] [call site] 02237
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02238
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02239
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02240
29 OpenBabel::vector3::~vector3() [function] [call site] 02241
29 OpenBabel::vector3::length_2() const [function] [call site] 02242
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02243
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02244
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02245
29 OpenBabel::vector3::~vector3() [function] [call site] 02246
29 OpenBabel::vector3::length_2() const [function] [call site] 02247
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02248
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02249
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02250
29 OpenBabel::vector3::~vector3() [function] [call site] 02251
29 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 02252
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02253
29 OpenBabel::vector3::normalize() [function] [call site] 02254
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02255
29 OpenBabel::vector3::normalize() [function] [call site] 02256
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02257
29 OpenBabel::cross(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02258
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02259
29 OpenBabel::vector3::~vector3() [function] [call site] 02260
29 OpenBabel::vector3::normalize() [function] [call site] 02261
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02262
29 OpenBabel::operator*(double const&, OpenBabel::vector3 const&) [function] [call site] 02263
30 OpenBabel::vector3::x() const [function] [call site] 02264
30 OpenBabel::vector3::y() const [function] [call site] 02265
30 OpenBabel::vector3::z() const [function] [call site] 02266
30 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 02267
29 OpenBabel::operator+(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02268
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02269
29 OpenBabel::vector3::~vector3() [function] [call site] 02270
29 OpenBabel::vector3::normalize() [function] [call site] 02271
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02272
29 OpenBabel::vector3::operator*=(double const&) [function] [call site] 02273
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02274
29 OpenBabel::vector3::operator+=(OpenBabel::vector3 const&) [function] [call site] 02275
29 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02276
29 OpenBabel::OBAtom::GetHyb() const [function] [call site] 02277
29 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 02278
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 02279
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 02280
29 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 02281
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02282
29 OpenBabel::vector3::normalize() [function] [call site] 02283
29 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 02284
29 OpenBabel::vector3::length_2() const [function] [call site] 02285
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02286
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02287
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02288
29 OpenBabel::vector3::~vector3() [function] [call site] 02289
29 OpenBabel::vector3::length_2() const [function] [call site] 02290
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02291
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02292
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02293
29 OpenBabel::vector3::~vector3() [function] [call site] 02294
29 OpenBabel::vector3::length_2() const [function] [call site] 02295
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02296
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02297
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02298
29 OpenBabel::vector3::~vector3() [function] [call site] 02299
29 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 02300
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02301
29 OpenBabel::vector3::operator*=(double const&) [function] [call site] 02302
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02303
29 OpenBabel::vector3::operator+=(OpenBabel::vector3 const&) [function] [call site] 02304
29 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02305
29 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 02306
29 OpenBabel::OBAtom::GetHyb() const [function] [call site] 02307
29 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 02308
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 02309
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 02310
29 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 02311
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02312
29 OpenBabel::vector3::normalize() [function] [call site] 02313
29 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 02314
29 OpenBabel::vector3::length_2() const [function] [call site] 02315
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02316
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02317
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02318
29 OpenBabel::vector3::~vector3() [function] [call site] 02319
29 OpenBabel::vector3::length_2() const [function] [call site] 02320
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02321
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02322
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02323
29 OpenBabel::vector3::~vector3() [function] [call site] 02324
29 OpenBabel::vector3::length_2() const [function] [call site] 02325
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02326
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02327
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02328
29 OpenBabel::vector3::~vector3() [function] [call site] 02329
29 OpenBabel::vector3::length_2() const [function] [call site] 02330
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02331
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02332
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02333
29 OpenBabel::vector3::~vector3() [function] [call site] 02334
29 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 02335
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02336
29 OpenBabel::vector3::operator*=(double const&) [function] [call site] 02337
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02338
29 OpenBabel::vector3::operator+=(OpenBabel::vector3 const&) [function] [call site] 02339
29 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02340
29 OpenBabel::OBAtom::GetHyb() const [function] [call site] 02341
29 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 02342
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 02343
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 02344
29 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 02345
29 OpenBabel::vector3::normalize() [function] [call site] 02346
29 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 02347
29 OpenBabel::vector3::length_2() const [function] [call site] 02348
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02349
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02350
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02351
29 OpenBabel::vector3::~vector3() [function] [call site] 02352
29 OpenBabel::vector3::length_2() const [function] [call site] 02353
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02354
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02355
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02356
29 OpenBabel::vector3::~vector3() [function] [call site] 02357
29 OpenBabel::vector3::length_2() const [function] [call site] 02358
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02359
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02360
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02361
29 OpenBabel::vector3::~vector3() [function] [call site] 02362
29 OpenBabel::vector3::length_2() const [function] [call site] 02363
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02364
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02365
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02366
29 OpenBabel::vector3::~vector3() [function] [call site] 02367
29 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 02368
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02369
29 OpenBabel::vector3::normalize() [function] [call site] 02370
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02371
29 OpenBabel::vector3::normalize() [function] [call site] 02372
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02373
29 OpenBabel::vector3::normalize() [function] [call site] 02374
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02375
29 OpenBabel::cross(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02376
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02377
29 OpenBabel::vector3::~vector3() [function] [call site] 02378
29 OpenBabel::vector3::normalize() [function] [call site] 02379
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02380
29 OpenBabel::operator-(OpenBabel::vector3 const&) [function] [call site] 02381
30 OpenBabel::vector3::x() const [function] [call site] 02382
30 OpenBabel::vector3::y() const [function] [call site] 02383
30 OpenBabel::vector3::z() const [function] [call site] 02384
30 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 02385
29 OpenBabel::operator*(double const&, OpenBabel::vector3 const&) [function] [call site] 02386
29 OpenBabel::operator+(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02387
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02388
29 OpenBabel::vector3::~vector3() [function] [call site] 02389
29 OpenBabel::vector3::normalize() [function] [call site] 02390
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02391
29 OpenBabel::vector3::operator*=(double const&) [function] [call site] 02392
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02393
29 OpenBabel::vector3::operator+=(OpenBabel::vector3 const&) [function] [call site] 02394
29 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02395
29 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 02396
29 OpenBabel::OBAtom::GetHyb() const [function] [call site] 02397
29 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 02398
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 02399
29 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 02400
29 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 02401
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02402
29 OpenBabel::vector3::normalize() [function] [call site] 02403
29 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 02404
29 OpenBabel::vector3::length_2() const [function] [call site] 02405
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02406
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02407
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02408
29 OpenBabel::vector3::~vector3() [function] [call site] 02409
29 OpenBabel::vector3::length_2() const [function] [call site] 02410
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02411
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02412
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02413
29 OpenBabel::vector3::~vector3() [function] [call site] 02414
29 OpenBabel::vector3::length_2() const [function] [call site] 02415
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02416
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02417
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02418
29 OpenBabel::vector3::~vector3() [function] [call site] 02419
29 OpenBabel::vector3::length_2() const [function] [call site] 02420
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02421
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02422
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02423
29 OpenBabel::vector3::~vector3() [function] [call site] 02424
29 OpenBabel::vector3::length_2() const [function] [call site] 02425
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02426
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02427
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02428
29 OpenBabel::vector3::~vector3() [function] [call site] 02429
29 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 02430
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02431
29 OpenBabel::vector3::operator*=(double const&) [function] [call site] 02432
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02433
29 OpenBabel::vector3::operator+=(OpenBabel::vector3 const&) [function] [call site] 02434
29 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02435
29 OpenBabel::vector3::randomUnitVector() [function] [call site] 02436
29 OpenBabel::vector3::operator*=(double const&) [function] [call site] 02437
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02438
29 OpenBabel::vector3::operator+=(OpenBabel::vector3 const&) [function] [call site] 02439
29 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02440
29 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 02441
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02442
29 OpenBabel::operator*(OpenBabel::vector3 const&, double const&) [function] [call site] 02443
29 OpenBabel::operator+(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02444
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02445
29 OpenBabel::vector3::~vector3() [function] [call site] 02446
29 OpenBabel::vector3::x() [function] [call site] 02447
29 OpenBabel::vector3::y() [function] [call site] 02448
29 OpenBabel::vector3::Set(double, double, double) [function] [call site] 02449
29 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02450
29 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 02451
29 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 02452
29 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02453
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02454
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02455
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02456
29 OpenBabel::vector3::~vector3() [function] [call site] 02457
29 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 02458
29 OpenBabel::OBAtom::GetHyb() const [function] [call site] 02459
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02460
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02461
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02462
29 OpenBabel::vector3::~vector3() [function] [call site] 02463
29 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 02464
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02465
29 OpenBabel::matrix3x3::matrix3x3() [function] [call site] 02466
29 OpenBabel::matrix3x3::RotAboutAxisByAngle(OpenBabel::vector3 const&, double) [function] [call site] 02467
30 sin [call site] 02468
30 cos [call site] 02469
30 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02470
30 OpenBabel::vector3::normalize() [function] [call site] 02471
30 OpenBabel::vector3::x() [function] [call site] 02472
30 OpenBabel::vector3::y() [function] [call site] 02473
30 OpenBabel::vector3::z() [function] [call site] 02474
30 OpenBabel::vector3::~vector3() [function] [call site] 02475
29 OpenBabel::operator*(OpenBabel::matrix3x3 const&, OpenBabel::vector3 const&) [function] [call site] 02476
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02477
29 OpenBabel::vector3::~vector3() [function] [call site] 02478
29 OpenBabel::matrix3x3::~matrix3x3() [function] [call site] 02479
29 OpenBabel::vector3::normalize() [function] [call site] 02480
29 OpenBabel::vector3::operator*=(double const&) [function] [call site] 02481
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02482
29 OpenBabel::vector3::operator+=(OpenBabel::vector3 const&) [function] [call site] 02483
29 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02484
29 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 02485
29 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 02486
29 OpenBabel::vector3::normalize() [function] [call site] 02487
29 OpenBabel::vector3::length_2() const [function] [call site] 02488
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02489
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02490
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02491
29 OpenBabel::vector3::~vector3() [function] [call site] 02492
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02493
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02494
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02495
29 OpenBabel::vector3::~vector3() [function] [call site] 02496
29 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 02497
29 OpenBabel::vector3::normalize() [function] [call site] 02498
29 OpenBabel::operator+(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02499
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02500
29 OpenBabel::vector3::~vector3() [function] [call site] 02501
29 OpenBabel::vector3::normalize() [function] [call site] 02502
29 OpenBabel::vector3::operator*=(double const&) [function] [call site] 02503
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02504
29 OpenBabel::vector3::operator+=(OpenBabel::vector3 const&) [function] [call site] 02505
29 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02506
29 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 02507
29 OpenBabel::OBStereoFacade::OBStereoFacade(OpenBabel::OBMol*, bool) [function] [call site] 02508
29 OpenBabel::OBAtom::GetId() const [function] [call site] 02509
29 OpenBabel::OBStereoFacade::HasTetrahedralStereo(unsigned long) [function] [call site] 02510
29 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 02511
29 OpenBabel::OBAtom::GetBond(OpenBabel::OBAtom*) [function] [call site] 02512
30 OpenBabel::OBAtom::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 02513
30 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 02514
30 OpenBabel::OBAtom::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 02515
29 OpenBabel::OBBond::IsWedge() [function] [call site] 02516
30 OpenBabel::OBBond::HasFlag(int) const [function] [call site] 02517
29 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 02518
29 OpenBabel::OBBond::IsHash() [function] [call site] 02519
30 OpenBabel::OBBond::HasFlag(int) const [function] [call site] 02520
29 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 02521
29 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 02522
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02523
29 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 02524
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02525
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02526
29 OpenBabel::vector3::~vector3() [function] [call site] 02527
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02528
29 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 02529
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02530
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02531
29 OpenBabel::vector3::~vector3() [function] [call site] 02532
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02533
29 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 02534
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02535
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02536
29 OpenBabel::vector3::~vector3() [function] [call site] 02537
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02538
29 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 02539
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02540
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02541
29 OpenBabel::vector3::~vector3() [function] [call site] 02542
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02543
29 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 02544
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02545
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02546
29 OpenBabel::vector3::~vector3() [function] [call site] 02547
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02548
29 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 02549
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02550
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02551
29 OpenBabel::vector3::~vector3() [function] [call site] 02552
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02553
29 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 02554
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02555
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02556
29 OpenBabel::vector3::~vector3() [function] [call site] 02557
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02558
29 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 02559
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02560
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02561
29 OpenBabel::vector3::~vector3() [function] [call site] 02562
29 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 02563
29 OpenBabel::vector3::length_2() const [function] [call site] 02564
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02565
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02566
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02567
29 OpenBabel::vector3::~vector3() [function] [call site] 02568
29 OpenBabel::vector3::length_2() const [function] [call site] 02569
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02570
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02571
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02572
29 OpenBabel::vector3::~vector3() [function] [call site] 02573
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02574
29 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02575
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02576
29 OpenBabel::vector3::~vector3() [function] [call site] 02577
29 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 02578
29 OpenBabel::vector3::normalize() [function] [call site] 02579
29 OpenBabel::vector3::normalize() [function] [call site] 02580
29 OpenBabel::operator+(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02581
29 OpenBabel::operator-(OpenBabel::vector3 const&) [function] [call site] 02582
29 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02583
29 OpenBabel::vector3::~vector3() [function] [call site] 02584
29 OpenBabel::vector3::normalize() [function] [call site] 02585
29 OpenBabel::vector3::operator*=(double const&) [function] [call site] 02586
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02587
29 OpenBabel::vector3::operator+=(OpenBabel::vector3 const&) [function] [call site] 02588
29 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02589
29 OpenBabel::OBStereoFacade::~OBStereoFacade() [function] [call site] 02590
29 OpenBabel::vector3::randomUnitVector() [function] [call site] 02591
29 OpenBabel::vector3::z() [function] [call site] 02592
29 OpenBabel::vector3::normalize() [function] [call site] 02593
29 OpenBabel::vector3::operator*=(double const&) [function] [call site] 02594
29 OpenBabel::OBAtom::GetVector() [function] [call site] 02595
29 OpenBabel::vector3::operator+=(OpenBabel::vector3 const&) [function] [call site] 02596
29 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02597
29 OpenBabel::vector3::~vector3() [function] [call site] 02598
28 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02599
28 OpenBabel::vector3::~vector3() [function] [call site] 02600
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02601
27 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02602
27 OpenBabel::OBUnitCell::MinimumImageCartesian(OpenBabel::vector3) [function] [call site] 02603
27 OpenBabel::vector3::~vector3() [function] [call site] 02604
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02605
27 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02606
27 OpenBabel::vector3::~vector3() [function] [call site] 02607
27 OpenBabel::vector3::~vector3() [function] [call site] 02608
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02609
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02610
27 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02611
27 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02612
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02613
27 OpenBabel::OBUnitCell::UnwrapCartesianNear(OpenBabel::vector3, OpenBabel::vector3) [function] [call site] 02614
27 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02615
27 OpenBabel::vector3::~vector3() [function] [call site] 02616
27 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 02617
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 02618
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 02619
27 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 02620
27 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 02621
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02622
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02623
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02624
27 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02625
27 OpenBabel::OBUnitCell::MinimumImageCartesian(OpenBabel::vector3) [function] [call site] 02626
27 OpenBabel::vector3::~vector3() [function] [call site] 02627
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02628
27 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02629
27 OpenBabel::vector3::~vector3() [function] [call site] 02630
27 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 02631
27 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 02632
27 OpenBabel::OBAtom::GetNewBondVector(OpenBabel::vector3&, double) [function] [call site] 02633
27 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02634
27 OpenBabel::OBUnitCell::MinimumImageCartesian(OpenBabel::vector3) [function] [call site] 02635
27 OpenBabel::vector3::~vector3() [function] [call site] 02636
27 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02637
27 OpenBabel::vector3::~vector3() [function] [call site] 02638
27 OpenBabel::vector3::~vector3() [function] [call site] 02639
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02640
27 OpenBabel::operator+(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02641
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02642
27 OpenBabel::operator+(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02643
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02644
27 OpenBabel::operator+(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02645
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02646
27 OpenBabel::operator+(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02647
27 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 02648
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02649
27 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02650
27 OpenBabel::OBUnitCell::UnwrapCartesianNear(OpenBabel::vector3, OpenBabel::vector3) [function] [call site] 02651
27 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02652
27 OpenBabel::vector3::~vector3() [function] [call site] 02653
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02654
27 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02655
27 OpenBabel::OBUnitCell::UnwrapCartesianNear(OpenBabel::vector3, OpenBabel::vector3) [function] [call site] 02656
27 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02657
27 OpenBabel::vector3::~vector3() [function] [call site] 02658
27 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02659
27 OpenBabel::OBUnitCell::UnwrapCartesianNear(OpenBabel::vector3, OpenBabel::vector3) [function] [call site] 02660
27 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02661
27 OpenBabel::vector3::~vector3() [function] [call site] 02662
27 OpenBabel::CalcTorsionAngle(OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02663
28 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02664
28 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02665
28 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02666
28 OpenBabel::dot(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02667
28 sqrt [call site] 02668
28 OpenBabel::cross(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02669
28 OpenBabel::cross(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02670
28 OpenBabel::operator*(double const&, OpenBabel::vector3 const&) [function] [call site] 02671
28 OpenBabel::dot(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02672
28 atan2 [call site] 02673
28 OpenBabel::vector3::~vector3() [function] [call site] 02674
28 OpenBabel::vector3::~vector3() [function] [call site] 02675
27 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02676
27 OpenBabel::OBUnitCell::UnwrapCartesianNear(OpenBabel::vector3, OpenBabel::vector3) [function] [call site] 02677
27 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02678
27 OpenBabel::vector3::~vector3() [function] [call site] 02679
27 OpenBabel::CalcTorsionAngle(OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02680
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02681
27 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02682
27 OpenBabel::OBUnitCell::UnwrapCartesianNear(OpenBabel::vector3, OpenBabel::vector3) [function] [call site] 02683
27 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02684
27 OpenBabel::vector3::~vector3() [function] [call site] 02685
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02686
27 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02687
27 OpenBabel::OBUnitCell::UnwrapCartesianNear(OpenBabel::vector3, OpenBabel::vector3) [function] [call site] 02688
27 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02689
27 OpenBabel::vector3::~vector3() [function] [call site] 02690
27 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02691
27 OpenBabel::OBUnitCell::UnwrapCartesianNear(OpenBabel::vector3, OpenBabel::vector3) [function] [call site] 02692
27 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02693
27 OpenBabel::vector3::~vector3() [function] [call site] 02694
27 OpenBabel::CalcTorsionAngle(OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02695
27 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02696
27 OpenBabel::OBUnitCell::UnwrapCartesianNear(OpenBabel::vector3, OpenBabel::vector3) [function] [call site] 02697
27 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02698
27 OpenBabel::vector3::~vector3() [function] [call site] 02699
27 OpenBabel::CalcTorsionAngle(OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02700
27 OpenBabel::vector3::~vector3() [function] [call site] 02701
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02702
27 OpenBabel::operator+(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02703
27 OpenBabel::CalcTorsionAngle(OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02704
27 OpenBabel::vector3::~vector3() [function] [call site] 02705
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02706
27 OpenBabel::operator+(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02707
27 OpenBabel::CalcTorsionAngle(OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02708
27 OpenBabel::vector3::~vector3() [function] [call site] 02709
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02710
27 OpenBabel::operator+(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02711
27 OpenBabel::CalcTorsionAngle(OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02712
27 OpenBabel::vector3::~vector3() [function] [call site] 02713
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02714
27 OpenBabel::operator+(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02715
27 OpenBabel::CalcTorsionAngle(OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02716
27 OpenBabel::vector3::~vector3() [function] [call site] 02717
27 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 02718
27 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 02719
27 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 02720
27 OpenBabel::OBCisTransStereo::OBCisTransStereo(OpenBabel::OBMol*) [function] [call site] 02721
28 OpenBabel::OBTetraPlanarStereo::OBTetraPlanarStereo(OpenBabel::OBMol*) [function] [call site] 02722
29 OpenBabel::OBStereoBase::OBStereoBase(OpenBabel::OBMol*) [function] [call site] 02723
28 OpenBabel::OBCisTransStereo::Config::Config() [function] [call site] 02724
27 OpenBabel::OBCisTransStereo::SetConfig(OpenBabel::OBCisTransStereo::Config const&) [function] [call site] 02725
27 OpenBabel::OBBase::SetData(OpenBabel::OBGenericData*) [function] [call site] 02726
27 OpenBabel::vector3::~vector3() [function] [call site] 02727
27 OpenBabel::OBCisTransStereo::Config::~Config() [function] [call site] 02728
26 OpenBabel::OBMol::SetChiralityPerceived(bool) [function] [call site] 02729
25 OpenBabel::StereoFrom2D(OpenBabel::OBMol*, std::__1::map<OpenBabel::OBBond*, OpenBabel::OBStereo::BondDirection, std::__1::less<OpenBabel::OBBond*>, std::__1::allocator<std::__1::pair<OpenBabel::OBBond* const, OpenBabel::OBStereo::BondDirection> > >*, bool) [function] [call site] 02730
26 OpenBabel::OBMol::HasChiralityPerceived() [function] [call site] 02731
26 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 02732
26 OpenBabel::FindSymmetry(OpenBabel::OBMol*) [function] [call site] 02733
26 OpenBabel::FindStereogenicUnits(OpenBabel::OBMol*, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&) [function] [call site] 02734
26 OpenBabel::OBBase::DeleteData(unsigned int) [function] [call site] 02735
26 OpenBabel::TetrahedralFrom2D(OpenBabel::OBMol*, std::__1::vector<OpenBabel::OBStereoUnit, std::__1::allocator<OpenBabel::OBStereoUnit> > const&, bool) [function] [call site] 02736
27 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 02737
27 OpenBabel::OBMol::GetAtomById(unsigned long) const [function] [call site] 02738
27 OpenBabel::OBAtom::GetHvyDegree() const [function] [call site] 02739
27 OpenBabel::OBAtom::GetHvyDegree() const [function] [call site] 02740
27 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 02741
27 OpenBabel::OBTetrahedralStereo::Config::Config() [function] [call site] 02742
27 OpenBabel::impl::AtomGetBonds(OpenBabel::OBAtom const*) [function] [call site] 02743
27 OpenBabel::OBRange<OpenBabel::OBBond*, std::__1::__wrap_iter<OpenBabel::OBBond* const*> >::begin() const [function] [call site] 02744
27 OpenBabel::OBRange<OpenBabel::OBBond*, std::__1::__wrap_iter<OpenBabel::OBBond* const*> >::end() const [function] [call site] 02745
27 OpenBabel::OBBond::GetNbrAtom(OpenBabel::OBAtom*) [function] [call site] 02746
27 OpenBabel::OBBond::IsHash() [function] [call site] 02747
27 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 02748
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02749
27 OpenBabel::OBBond::IsWedge() [function] [call site] 02750
27 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 02751
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02752
27 OpenBabel::OBBond::IsWedgeOrHash() const [function] [call site] 02753
27 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 02754
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02755
27 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 02756
27 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 02757
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 02758
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 02759
27 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 02760
27 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 02761
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02762
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02763
27 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 02764
27 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 02765
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 02766
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 02767
27 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 02768
27 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 02769
27 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 02770
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02771
27 OpenBabel::AngleOrder(OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02772
28 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 02773
28 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02774
28 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02775
28 OpenBabel::vector3::~vector3() [function] [call site] 02776
28 OpenBabel::vector3::normalize() [function] [call site] 02777
28 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02778
28 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02779
28 OpenBabel::vector3::~vector3() [function] [call site] 02780
28 OpenBabel::vector3::normalize() [function] [call site] 02781
28 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02782
28 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02783
28 OpenBabel::vector3::~vector3() [function] [call site] 02784
28 OpenBabel::vector3::normalize() [function] [call site] 02785
28 OpenBabel::TriangleSign(OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02786
29 OpenBabel::vector3::x() const [function] [call site] 02787
29 OpenBabel::vector3::y() const [function] [call site] 02788
28 OpenBabel::vector3::~vector3() [function] [call site] 02789
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02790
27 OpenBabel::AngleOrder(OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02791
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02792
27 OpenBabel::AngleOrder(OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02793
27 OpenBabel::GetAngle(OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*) [function] [call site] 02794
28 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 02795
28 OpenBabel::OBAtom::GetVector() [function] [call site] 02796
28 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02797
28 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02798
28 OpenBabel::vector3::~vector3() [function] [call site] 02799
28 OpenBabel::OBAtom::GetVector() [function] [call site] 02800
28 OpenBabel::operator-(OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02801
28 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02802
28 OpenBabel::vector3::~vector3() [function] [call site] 02803
28 OpenBabel::OBAtom::IsPeriodic() const [function] [call site] 02804
29 OpenBabel::OBAtom::GetParent() [function] [call site] 02805
29 OpenBabel::OBMol::IsPeriodic() [function] [call site] 02806
30 OpenBabel::OBMol::HasFlag(int) [function] [call site] 02807
28 OpenBabel::OBAtom::GetParent() [function] [call site] 02808
28 OpenBabel::OBBase::GetData(unsigned int) [function] [call site] 02809
28 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02810
28 OpenBabel::OBUnitCell::MinimumImageCartesian(OpenBabel::vector3) [function] [call site] 02811
28 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02812
28 OpenBabel::vector3::~vector3() [function] [call site] 02813
28 OpenBabel::vector3::vector3(OpenBabel::vector3 const&) [function] [call site] 02814
28 OpenBabel::OBUnitCell::MinimumImageCartesian(OpenBabel::vector3) [function] [call site] 02815
28 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 02816
28 OpenBabel::vector3::~vector3() [function] [call site] 02817
28 OpenBabel::vector3::length() const [function] [call site] 02818
28 OpenBabel::vector3::length() const [function] [call site] 02819
28 OpenBabel::vector3::y() [function] [call site] 02820
28 OpenBabel::vector3::x() [function] [call site] 02821
28 atan2 [call site] 02822
28 OpenBabel::vector3::~vector3() [function] [call site] 02823
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02824
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02825
27 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 02826
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 02827
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 02828
27 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 02829
27 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 02830
27 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 02831
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02832
27 OpenBabel::AngleOrder(OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02833
27 OpenBabel::GetAngle(OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*) [function] [call site] 02834
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02835
27 OpenBabel::OBTetrahedralStereo::OBTetrahedralStereo(OpenBabel::OBMol*) [function] [call site] 02836
27 OpenBabel::OBTetrahedralStereo::SetConfig(OpenBabel::OBTetrahedralStereo::Config const&) [function] [call site] 02837
27 OpenBabel::OBBase::SetData(OpenBabel::OBGenericData*) [function] [call site] 02838
27 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 02839
26 OpenBabel::CisTransFrom2D(OpenBabel::OBMol*, std::__1::vector<OpenBabel::OBStereoUnit, std::__1::allocator<OpenBabel::OBStereoUnit> > const&, std::__1::map<OpenBabel::OBBond*, OpenBabel::OBStereo::BondDirection, std::__1::less<OpenBabel::OBBond*>, std::__1::allocator<std::__1::pair<OpenBabel::OBBond* const, OpenBabel::OBStereo::BondDirection> > > const*, bool) [function] [call site] 02840
27 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 02841
27 OpenBabel::OBMol::GetBondById(unsigned long) const [function] [call site] 02842
27 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 02843
27 OpenBabel::OBBond::GetEndAtom() [function] [call site] 02844
27 OpenBabel::OBCisTransStereo::Config::Config() [function] [call site] 02845
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02846
27 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 02847
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 02848
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 02849
27 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 02850
27 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 02851
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02852
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02853
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02854
27 OpenBabel::OBMol::GetBond(OpenBabel::OBAtom*, OpenBabel::OBAtom*) const [function] [call site] 02855
27 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 02856
27 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 02857
27 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 02858
27 OpenBabel::OBAtom::GetNewBondVector(OpenBabel::vector3&, double) [function] [call site] 02859
27 OpenBabel::vector3::~vector3() [function] [call site] 02860
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02861
27 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 02862
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 02863
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 02864
27 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 02865
27 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 02866
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02867
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02868
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02869
27 OpenBabel::OBMol::GetBond(OpenBabel::OBAtom*, OpenBabel::OBAtom*) const [function] [call site] 02870
27 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 02871
27 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 02872
27 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 02873
27 OpenBabel::OBAtom::GetNewBondVector(OpenBabel::vector3&, double) [function] [call site] 02874
27 OpenBabel::vector3::~vector3() [function] [call site] 02875
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02876
27 OpenBabel::TriangleSign(OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02877
27 OpenBabel::OBAtom::GetVector() [function] [call site] 02878
27 OpenBabel::TriangleSign(OpenBabel::vector3 const&, OpenBabel::vector3 const&, OpenBabel::vector3 const&) [function] [call site] 02879
27 OpenBabel::OBCisTransStereo::OBCisTransStereo(OpenBabel::OBMol*) [function] [call site] 02880
27 OpenBabel::OBCisTransStereo::SetConfig(OpenBabel::OBCisTransStereo::Config const&) [function] [call site] 02881
27 OpenBabel::OBBase::SetData(OpenBabel::OBGenericData*) [function] [call site] 02882
27 OpenBabel::OBCisTransStereo::Config::~Config() [function] [call site] 02883
26 OpenBabel::OBMol::SetChiralityPerceived(bool) [function] [call site] 02884
25 OpenBabel::StereoFrom0D(OpenBabel::OBMol*) [function] [call site] 02885
26 OpenBabel::OBMol::HasChiralityPerceived() [function] [call site] 02886
26 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 02887
26 OpenBabel::FindSymmetry(OpenBabel::OBMol*) [function] [call site] 02888
26 OpenBabel::FindStereogenicUnits(OpenBabel::OBMol*, std::__1::vector<unsigned int, std::__1::allocator<unsigned int> > const&) [function] [call site] 02889
26 OpenBabel::TetrahedralFrom0D(OpenBabel::OBMol*, std::__1::vector<OpenBabel::OBStereoUnit, std::__1::allocator<OpenBabel::OBStereoUnit> > const&, bool) [function] [call site] 02890
27 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 02891
27 OpenBabel::OBBase::GetAllData(unsigned int) [function] [call site] 02892
27 __dynamic_cast [call site] 02893
27 OpenBabel::OBTetrahedralStereo::GetConfig(OpenBabel::OBStereo::Winding, OpenBabel::OBStereo::View) const [function] [call site] 02894
27 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 02895
27 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 02896
27 OpenBabel::OBBase::DeleteData(OpenBabel::OBGenericData*) [function] [call site] 02897
27 OpenBabel::OBMol::GetAtomById(unsigned long) const [function] [call site] 02898
27 OpenBabel::OBTetrahedralStereo::Config::Config() [function] [call site] 02899
27 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 02900
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 02901
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 02902
27 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 02903
27 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 02904
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02905
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02906
27 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 02907
27 OpenBabel::OBTetrahedralStereo::OBTetrahedralStereo(OpenBabel::OBMol*) [function] [call site] 02908
27 OpenBabel::OBTetrahedralStereo::SetConfig(OpenBabel::OBTetrahedralStereo::Config const&) [function] [call site] 02909
27 OpenBabel::OBBase::SetData(OpenBabel::OBGenericData*) [function] [call site] 02910
27 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 02911
26 OpenBabel::CisTransFrom0D(OpenBabel::OBMol*, std::__1::vector<OpenBabel::OBStereoUnit, std::__1::allocator<OpenBabel::OBStereoUnit> > const&, bool) [function] [call site] 02912
27 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 02913
27 OpenBabel::OBBase::GetAllData(unsigned int) [function] [call site] 02914
27 __dynamic_cast [call site] 02915
27 OpenBabel::OBCisTransStereo::GetConfig(OpenBabel::OBStereo::Shape) const [function] [call site] 02916
27 OpenBabel::OBMol::GetAtomById(unsigned long) const [function] [call site] 02917
27 OpenBabel::impl::AtomGetBonds(OpenBabel::OBAtom const*) [function] [call site] 02918
27 OpenBabel::OBRange<OpenBabel::OBBond*, std::__1::__wrap_iter<OpenBabel::OBBond* const*> >::begin() const [function] [call site] 02919
27 OpenBabel::OBRange<OpenBabel::OBBond*, std::__1::__wrap_iter<OpenBabel::OBBond* const*> >::end() const [function] [call site] 02920
27 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 02921
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02922
27 OpenBabel::OBBond::GetEndAtom() [function] [call site] 02923
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02924
27 OpenBabel::OBBond::GetId() const [function] [call site] 02925
27 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 02926
27 OpenBabel::OBBase::DeleteData(OpenBabel::OBGenericData*) [function] [call site] 02927
27 OpenBabel::OBCisTransStereo::Config::~Config() [function] [call site] 02928
27 OpenBabel::OBMol::GetBondById(unsigned long) const [function] [call site] 02929
27 OpenBabel::OBCisTransStereo::Config::Config() [function] [call site] 02930
27 OpenBabel::OBCisTransStereo::GetConfig(OpenBabel::OBStereo::Shape) const [function] [call site] 02931
27 OpenBabel::OBCisTransStereo::Config::operator=(OpenBabel::OBCisTransStereo::Config&&) [function] [call site] 02932
27 OpenBabel::OBCisTransStereo::Config::~Config() [function] [call site] 02933
27 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 02934
27 OpenBabel::OBBond::GetEndAtom() [function] [call site] 02935
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02936
27 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 02937
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 02938
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 02939
27 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 02940
27 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 02941
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02942
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02943
27 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 02944
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02945
27 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 02946
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 02947
27 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 02948
27 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 02949
27 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 02950
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02951
27 OpenBabel::OBAtom::GetId() const [function] [call site] 02952
27 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 02953
27 OpenBabel::OBCisTransStereo::OBCisTransStereo(OpenBabel::OBMol*) [function] [call site] 02954
27 OpenBabel::OBCisTransStereo::SetConfig(OpenBabel::OBCisTransStereo::Config const&) [function] [call site] 02955
27 OpenBabel::OBBond::FindSmallestRing() const [function] [call site] 02956
28 OpenBabel::OBBond::GetParent() [function] [call site] 02957
28 OpenBabel::OBMol::GetSSSR() [function] [call site] 02958
28 OpenBabel::OBRing::IsMember(OpenBabel::OBBond*) [function] [call site] 02959
29 OpenBabel::OBBond::GetBeginAtomIdx() const [function] [call site] 02960
29 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 02961
29 OpenBabel::OBBond::GetEndAtomIdx() const [function] [call site] 02962
28 OpenBabel::OBRing::Size() const [function] [call site] 02963
28 OpenBabel::OBRing::Size() const [function] [call site] 02964
27 OpenBabel::OBRing::Size() const [function] [call site] 02965
27 OpenBabel::OBMol::GetAtomById(unsigned long) const [function] [call site] 02966
27 OpenBabel::OBRing::IsMember(OpenBabel::OBAtom*) [function] [call site] 02967
28 OpenBabel::OBAtom::GetIdx() const [function] [call site] 02968
28 OpenBabel::OBBitVec::BitIsSet(unsigned int) const [function] [call site] 02969
27 OpenBabel::OBCisTransStereo::IsCis(unsigned long, unsigned long) const [function] [call site] 02970
28 OpenBabel::OBCisTransStereo::GetCisRef(unsigned long) const [function] [call site] 02971
29 OpenBabel::OBCisTransStereo::GetCisOrTransRef(unsigned long, bool) const [function] [call site] 02972
30 OpenBabel::OBCisTransStereo::IsValid() const [function] [call site] 02973
27 OpenBabel::OBCisTransStereo::SetConfig(OpenBabel::OBCisTransStereo::Config const&) [function] [call site] 02974
27 OpenBabel::OBBase::SetData(OpenBabel::OBGenericData*) [function] [call site] 02975
27 OpenBabel::OBCisTransStereo::Config::~Config() [function] [call site] 02976
26 OpenBabel::OBMol::SetChiralityPerceived(bool) [function] [call site] 02977
25 OpenBabel::OBMessageHandler::GetOutputLevel() [function] [call site] 02978
25 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 02979
24 OpenBabel::OBBase::GetAllData(unsigned int) [function] [call site] 02980
24 __dynamic_cast [call site] 02981
24 OpenBabel::OBTetrahedralStereo::GetConfig(OpenBabel::OBStereo::Winding, OpenBabel::OBStereo::View) const [function] [call site] 02982
24 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 02983
24 __dynamic_cast [call site] 02984
24 OpenBabel::OBSquarePlanarStereo::GetConfig(OpenBabel::OBStereo::Shape) const [function] [call site] 02985
25 OpenBabel::OBSquarePlanarStereo::IsValid() const [function] [call site] 02986
25 OpenBabel::OBSquarePlanarStereo::Config::Config() [function] [call site] 02987
25 OpenBabel::OBSquarePlanarStereo::Config OpenBabel::OBTetraPlanarStereo::ToConfig<OpenBabel::OBSquarePlanarStereo::Config>(OpenBabel::OBSquarePlanarStereo::Config const&, unsigned long, OpenBabel::OBStereo::Shape) [function] [call site] 02988
26 OpenBabel::OBSquarePlanarStereo::Config::Config(OpenBabel::OBSquarePlanarStereo::Config const&) [function] [call site] 02989
26 OpenBabel::OBSquarePlanarStereo::Config::~Config() [function] [call site] 02990
24 OpenBabel::OBSquarePlanarStereo::Config::~Config() [function] [call site] 02991
24 __dynamic_cast [call site] 02992
24 OpenBabel::OBCisTransStereo::GetConfig(OpenBabel::OBStereo::Shape) const [function] [call site] 02993
24 OpenBabel::OBMol::GetAtomById(unsigned long) const [function] [call site] 02994
24 OpenBabel::impl::AtomGetBonds(OpenBabel::OBAtom const*) [function] [call site] 02995
24 OpenBabel::OBRange<OpenBabel::OBBond*, std::__1::__wrap_iter<OpenBabel::OBBond* const*> >::begin() const [function] [call site] 02996
24 OpenBabel::OBRange<OpenBabel::OBBond*, std::__1::__wrap_iter<OpenBabel::OBBond* const*> >::end() const [function] [call site] 02997
24 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 02998
24 OpenBabel::OBAtom::GetId() const [function] [call site] 02999
24 OpenBabel::OBBond::GetEndAtom() [function] [call site] 03000
24 OpenBabel::OBAtom::GetId() const [function] [call site] 03001
24 OpenBabel::OBBond::GetId() const [function] [call site] 03002
24 OpenBabel::OBCisTransStereo::Config::~Config() [function] [call site] 03003
20 OpenBabel::OBTetrahedralStereo::GetConfig(OpenBabel::OBStereo::Winding, OpenBabel::OBStereo::View) const [function] [call site] 03004
20 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 03005
20 OpenBabel::OBAtom::GetId() const [function] [call site] 03006
20 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 03007
20 OpenBabel::OBAtom::GetId() const [function] [call site] 03008
20 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 03009
20 OpenBabel::OBAtom::GetId() const [function] [call site] 03010
20 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 03011
20 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 03012
20 OpenBabel::OBAtom::GetId() const [function] [call site] 03013
20 OpenBabel::OBStereo::MakeRefs(unsigned long, unsigned long, unsigned long, unsigned long) [function] [call site] 03014
20 OpenBabel::OBTetrahedralStereo::GetConfig(OpenBabel::OBStereo::Winding, OpenBabel::OBStereo::View) const [function] [call site] 03015
20 OpenBabel::OBTetrahedralStereo::Config::operator!=(OpenBabel::OBTetrahedralStereo::Config const&) const [function] [call site] 03016
21 OpenBabel::OBTetrahedralStereo::Config::operator==(OpenBabel::OBTetrahedralStereo::Config const&) const [function] [call site] 03017
22 OpenBabel::OBTetrahedralStereo::Config::Config() [function] [call site] 03018
22 OpenBabel::OBTetrahedralStereo::Config OpenBabel::OBTetraNonPlanarStereo::ToConfig<OpenBabel::OBTetrahedralStereo::Config>(OpenBabel::OBTetrahedralStereo::Config const&, unsigned long, OpenBabel::OBStereo::Winding, OpenBabel::OBStereo::View) [function] [call site] 03019
22 OpenBabel::OBTetrahedralStereo::Config::operator=(OpenBabel::OBTetrahedralStereo::Config&&) [function] [call site] 03020
22 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 03021
22 OpenBabel::OBTetrahedralStereo::Config OpenBabel::OBTetraNonPlanarStereo::ToConfig<OpenBabel::OBTetrahedralStereo::Config>(OpenBabel::OBTetrahedralStereo::Config const&, unsigned long, OpenBabel::OBStereo::Winding, OpenBabel::OBStereo::View) [function] [call site] 03022
22 OpenBabel::OBTetrahedralStereo::Config::operator=(OpenBabel::OBTetrahedralStereo::Config&&) [function] [call site] 03023
22 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 03024
22 OpenBabel::OBTetrahedralStereo::Config OpenBabel::OBTetraNonPlanarStereo::ToConfig<OpenBabel::OBTetrahedralStereo::Config>(OpenBabel::OBTetrahedralStereo::Config const&, unsigned long, OpenBabel::OBStereo::Winding, OpenBabel::OBStereo::View) [function] [call site] 03025
22 OpenBabel::OBTetrahedralStereo::Config::operator=(OpenBabel::OBTetrahedralStereo::Config&&) [function] [call site] 03026
22 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 03027
22 OpenBabel::OBTetrahedralStereo::Config OpenBabel::OBTetraNonPlanarStereo::ToConfig<OpenBabel::OBTetrahedralStereo::Config>(OpenBabel::OBTetrahedralStereo::Config const&, unsigned long, OpenBabel::OBStereo::Winding, OpenBabel::OBStereo::View) [function] [call site] 03028
22 OpenBabel::OBTetrahedralStereo::Config::operator=(OpenBabel::OBTetrahedralStereo::Config&&) [function] [call site] 03029
22 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 03030
22 OpenBabel::OBTetrahedralStereo::Config::operator=(OpenBabel::OBTetrahedralStereo::Config const&) [function] [call site] 03031
22 OpenBabel::OBTetrahedralStereo::Config OpenBabel::OBTetraNonPlanarStereo::ToConfig<OpenBabel::OBTetrahedralStereo::Config>(OpenBabel::OBTetrahedralStereo::Config const&, unsigned long, OpenBabel::OBStereo::Winding, OpenBabel::OBStereo::View) [function] [call site] 03032
22 OpenBabel::OBTetrahedralStereo::Config::operator=(OpenBabel::OBTetrahedralStereo::Config&&) [function] [call site] 03033
22 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 03034
22 OpenBabel::OBStereo::ContainsSameRefs(std::__1::vector<unsigned long, std::__1::allocator<unsigned long> > const&, std::__1::vector<unsigned long, std::__1::allocator<unsigned long> > const&) [function] [call site] 03035
22 OpenBabel::OBStereo::ContainsRef(std::__1::vector<unsigned long, std::__1::allocator<unsigned long> > const&, unsigned long) [function] [call site] 03036
22 OpenBabel::OBStereo::ContainsRef(std::__1::vector<unsigned long, std::__1::allocator<unsigned long> > const&, unsigned long) [function] [call site] 03037
22 OpenBabel::OBStereo::ContainsRef(std::__1::vector<unsigned long, std::__1::allocator<unsigned long> > const&, unsigned long) [function] [call site] 03038
22 OpenBabel::OBStereo::ContainsRef(std::__1::vector<unsigned long, std::__1::allocator<unsigned long> > const&, unsigned long) [function] [call site] 03039
22 OpenBabel::OBStereo::NumInversions(std::__1::vector<unsigned long, std::__1::allocator<unsigned long> > const&) [function] [call site] 03040
22 OpenBabel::OBStereo::NumInversions(std::__1::vector<unsigned long, std::__1::allocator<unsigned long> > const&) [function] [call site] 03041
22 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 03042
20 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 03043
20 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 03044
20 OpenBabel::OBStereoFacade::~OBStereoFacade() [function] [call site] 03045
19 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03046
16 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03047
16 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03048
16 OpenBabel::OBSSMatch::Match(std::__1::vector<std::__1::vector<int, std::__1::allocator<int> >, std::__1::allocator<std::__1::vector<int, std::__1::allocator<int> > > >&, int) [function] [call site] 03049
17 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03050
17 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03051
17 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03052
17 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 03053
17 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03054
17 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03055
17 OpenBabel::OBSmartsMatcher::EvalAtomExpr(OpenBabel::_AtomExpr*, OpenBabel::OBAtom*) [function] [call site] 03056
17 OpenBabel::OBSmartsMatcher::EvalBondExpr(OpenBabel::_BondExpr*, OpenBabel::OBBond*) [function] [call site] 03057
18 OpenBabel::OBSmartsMatcher::EvalBondExpr(OpenBabel::_BondExpr*, OpenBabel::OBBond*) [function] [call site] 03058
19 OpenBabel::OBSmartsMatcher::EvalBondExpr(OpenBabel::_BondExpr*, OpenBabel::OBBond*) [function] [call site] 03059
20 OpenBabel::OBBond::GetBondOrder() const [function] [call site] 03060
20 OpenBabel::OBBond::IsAromatic() const [function] [call site] 03061
20 OpenBabel::OBBond::GetBondOrder() const [function] [call site] 03062
20 OpenBabel::OBBond::IsAromatic() const [function] [call site] 03063
20 OpenBabel::OBBond::GetBondOrder() const [function] [call site] 03064
20 OpenBabel::OBBond::IsAromatic() const [function] [call site] 03065
20 OpenBabel::OBBond::GetBondOrder() const [function] [call site] 03066
20 OpenBabel::OBBond::GetBondOrder() const [function] [call site] 03067
20 OpenBabel::OBBond::IsAromatic() const [function] [call site] 03068
20 OpenBabel::OBBond::IsInRing() const [function] [call site] 03069
17 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03070
17 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03071
17 OpenBabel::OBSSMatch::Match(std::__1::vector<std::__1::vector<int, std::__1::allocator<int> >, std::__1::allocator<std::__1::vector<int, std::__1::allocator<int> > > >&, int) [function] [call site] 03072
18 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03073
18 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03074
18 OpenBabel::OBMol::GetBond(int, int) const [function] [call site] 03075
18 OpenBabel::OBSmartsMatcher::EvalBondExpr(OpenBabel::_BondExpr*, OpenBabel::OBBond*) [function] [call site] 03076
18 OpenBabel::OBSSMatch::Match(std::__1::vector<std::__1::vector<int, std::__1::allocator<int> >, std::__1::allocator<std::__1::vector<int, std::__1::allocator<int> > > >&, int) [function] [call site] 03077
19 OpenBabel::OBSmartsMatcher::~OBSmartsMatcher() [function] [call site] 03078
14 OpenBabel::OBMol::~OBMol() [function] [call site] 03079
15 OpenBabel::OBMol::BeginResidue(std::__1::__wrap_iter<OpenBabel::OBResidue**>&) [function] [call site] 03080
15 OpenBabel::OBMol::NextResidue(std::__1::__wrap_iter<OpenBabel::OBResidue**>&) [function] [call site] 03081
15 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03082
15 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03083
15 OpenBabel::OBMol::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03084
15 OpenBabel::OBMol::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03085
15 OpenBabel::OBBase::~OBBase() [function] [call site] 03086
15 __clang_call_terminate [call site] 03087
14 OpenBabel::OBSmartsMatcher::match(OpenBabel::OBMol&, OpenBabel::Pattern const*, std::__1::vector<std::__1::vector<int, std::__1::allocator<int> >, std::__1::allocator<std::__1::vector<int, std::__1::allocator<int> > > >&, bool) [function] [call site] 03088
14 OpenBabel::OBBitVec::OBBitVec() [function] [call site] 03089
14 OpenBabel::OBBitVec::Clear() [function] [call site] 03090
14 OpenBabel::OBBitVec::FromVecInt(std::__1::vector<int, std::__1::allocator<int> > const&) [function] [call site] 03091
14 OpenBabel::operator==(OpenBabel::OBBitVec const&, OpenBabel::OBBitVec const&) [function] [call site] 03092
14 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 03093
14 OpenBabel::OBSmartsMatcher::~OBSmartsMatcher() [function] [call site] 03094
13 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 03095
13 OpenBabel::OBAtom::SetHyb(int) [function] [call site] 03096
13 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03097
13 OpenBabel::OBAtom::GetHyb() const [function] [call site] 03098
13 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 03099
13 OpenBabel::OBAtom::GetExplicitDegree() const [function] [call site] 03100
13 OpenBabel::OBAtom::SetHyb(int) [function] [call site] 03101
13 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03102
10 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03103
10 OpenBabel::OBBitVec::Clear() [function] [call site] 03104
10 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03105
10 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 03106
10 OpenBabel::OBMol::GetBond(int, int) const [function] [call site] 03107
10 OpenBabel::OBSmartsMatcher::EvalBondExpr(OpenBabel::_BondExpr*, OpenBabel::OBBond*) [function] [call site] 03108
10 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 03109
10 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03110
10 OpenBabel::OBBitVec::SetBitOff(unsigned int) [function] [call site] 03111
11 OpenBabel::OBBitVec::GetSize() const [function] [call site] 03112
10 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03113
10 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03114
10 OpenBabel::OBBitVec::operator[](int) const [function] [call site] 03115
10 OpenBabel::OBSmartsMatcher::EvalAtomExpr(OpenBabel::_AtomExpr*, OpenBabel::OBAtom*) [function] [call site] 03116
10 OpenBabel::OBSmartsMatcher::EvalBondExpr(OpenBabel::_BondExpr*, OpenBabel::OBBond*) [function] [call site] 03117
10 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03118
10 OpenBabel::OBBitVec::SetBitOn(unsigned int) [function] [call site] 03119
10 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03120
10 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03121
10 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03122
10 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 03123
8 OpenBabel::OBMol::~OBMol() [function] [call site] 03124
8 OpenBabel::OBSmartsMatcher::match(OpenBabel::OBMol&, OpenBabel::Pattern const*, std::__1::vector<std::__1::vector<int, std::__1::allocator<int> >, std::__1::allocator<std::__1::vector<int, std::__1::allocator<int> > > >&, bool) [function] [call site] 03125
8 OpenBabel::OBSmartsMatcher::~OBSmartsMatcher() [function] [call site] 03126
7 OpenBabel::OBSmartsPattern::GetUMapList() [function] [call site] 03127
8 OpenBabel::OBBitVec::OBBitVec() [function] [call site] 03128
8 OpenBabel::OBBitVec::Clear() [function] [call site] 03129
8 OpenBabel::OBBitVec::FromVecInt(std::__1::vector<int, std::__1::allocator<int> > const&) [function] [call site] 03130
8 OpenBabel::operator==(OpenBabel::OBBitVec const&, OpenBabel::OBBitVec const&) [function] [call site] 03131
8 OpenBabel::OBBitVec::~OBBitVec() [function] [call site] 03132
7 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 03133
7 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 03134
7 OpenBabel::OBAtom::GetFormalCharge() const [function] [call site] 03135
7 OpenBabel::OBAtom::SetFormalCharge(int) [function] [call site] 03136
7 OpenBabel::OBAtomAssignTypicalImplicitHydrogens(OpenBabel::OBAtom*) [function] [call site] 03137
8 OpenBabel::OBAtom::GetExplicitValence() const [function] [call site] 03138
8 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 03139
8 OpenBabel::OBAtom::GetFormalCharge() const [function] [call site] 03140
8 OpenBabel::GetTypicalValence(unsigned int, unsigned int, int) [function] [call site] 03141
8 OpenBabel::OBAtom::SetImplicitHCount(unsigned int) [function] [call site] 03142
7 OpenBabel::OBMol::GetBond(int, int) const [function] [call site] 03143
7 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 03144
7 OpenBabel::OBBond::GetBondOrder() const [function] [call site] 03145
7 OpenBabel::OBBond::SetBondOrder(int) [function] [call site] 03146
7 OpenBabel::OBBond::GetBeginAtom() [function] [call site] 03147
7 OpenBabel::OBAtom::GetImplicitHCount() const [function] [call site] 03148
7 OpenBabel::OBAtom::SetImplicitHCount(unsigned int) [function] [call site] 03149
7 OpenBabel::OBBond::GetEndAtom() [function] [call site] 03150
7 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 03151
7 OpenBabel::OBAtom::SetAtomicNum(int) [function] [call site] 03152
7 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03153
7 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 03154
7 OpenBabel::OBMol::DeleteAtom(OpenBabel::OBAtom*, bool) [function] [call site] 03155
6 OpenBabel::OBChemTsfm::IsBase() [function] [call site] 03156
7 OpenBabel::OBSmartsPattern::NumAtoms() const [function] [call site] 03157
7 OpenBabel::OBSmartsPattern::GetCharge(int) [function] [call site] 03158
6 OpenBabel::OBChemTsfm::Apply(OpenBabel::OBMol&) [function] [call site] 03159
6 OpenBabel::OBMol::SetChainsPerceived(bool) [function] [call site] 03160
7 OpenBabel::OBMol::SetFlag(int) [function] [call site] 03161
7 OpenBabel::OBMol::UnsetFlag(int) [function] [call site] 03162
5 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 03163
4 OpenBabel::OBMol::HasHydrogensAdded() [function] [call site] 03164
5 OpenBabel::OBMol::HasFlag(int) [function] [call site] 03165
4 OpenBabel::OBMol::HasChiralityPerceived() [function] [call site] 03166
4 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 03167
4 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 03168
4 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 03169
4 OpenBabel::OBMol::Empty() [function] [call site] 03170
4 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03171
4 OpenBabel::OBAtom::SetVector() [function] [call site] 03172
5 OpenBabel::vector3::Set(double, double, double) [function] [call site] 03173
4 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03174
4 OpenBabel::OBMol::SetHydrogensAdded(bool) [function] [call site] 03175
4 OpenBabel::OBMol::SetChiralityPerceived(bool) [function] [call site] 03176
4 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03177
4 OpenBabel::AtomIsNSOP(OpenBabel::OBAtom*) [function] [call site] 03178
5 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 03179
4 OpenBabel::AtomIsNSOP(OpenBabel::OBAtom*) [function] [call site] 03180
4 OpenBabel::OBAtom::GetImplicitHCount() const [function] [call site] 03181
4 OpenBabel::OBAtom::SetImplicitHCount(unsigned int) [function] [call site] 03182
4 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03183
4 OpenBabel::OBMol::HasNonZeroCoords() [function] [call site] 03184
5 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03185
5 OpenBabel::OBAtom::GetVector() [function] [call site] 03186
5 OpenBabel::vector3::length_2() const [function] [call site] 03187
5 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03188
4 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03189
4 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03190
4 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03191
4 OpenBabel::OBMol::IncrementMod() [function] [call site] 03192
4 OpenBabel::vector3::vector3(double, double, double) [function] [call site] 03193
4 OpenBabel::CorrectedBondRad(unsigned int, unsigned int) [function] [call site] 03194
5 OpenBabel::OBElements::GetCovalentRad(unsigned int) [function] [call site] 03195
4 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 03196
4 OpenBabel::OBAtom::GetHyb() const [function] [call site] 03197
4 OpenBabel::CorrectedBondRad(unsigned int, unsigned int) [function] [call site] 03198
4 OpenBabel::OBMol::NumConformers() [function] [call site] 03199
4 OpenBabel::OBMol::SetConformer(unsigned int) [function] [call site] 03200
4 OpenBabel::OBBuilder::GetNewBondVector(OpenBabel::OBAtom*, double) [function] [call site] 03201
4 OpenBabel::vector3::operator=(OpenBabel::vector3 const&) [function] [call site] 03202
4 OpenBabel::vector3::x() [function] [call site] 03203
4 OpenBabel::vector3::y() [function] [call site] 03204
4 OpenBabel::vector3::z() [function] [call site] 03205
4 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03206
4 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03207
4 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03208
4 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 03209
4 OpenBabel::vector3::x() [function] [call site] 03210
4 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03211
4 OpenBabel::vector3::y() [function] [call site] 03212
4 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03213
4 OpenBabel::vector3::z() [function] [call site] 03214
4 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03215
4 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03216
4 OpenBabel::OBMol::NumConformers() [function] [call site] 03217
4 OpenBabel::OBAtom::HasResidue() [function] [call site] 03218
4 OpenBabel::OBAtom::GetResidue() [function] [call site] 03219
5 OpenBabel::OBAtom::GetParent() [function] [call site] 03220
5 OpenBabel::OBMol::HasChainsPerceived() [function] [call site] 03221
5 OpenBabel::OBChainsParser::PerceiveChains(OpenBabel::OBMol&, bool) [function] [call site] 03222
6 OpenBabel::OBChainsParser::SetupMol(OpenBabel::OBMol&) [function] [call site] 03223
7 OpenBabel::OBChainsParser::CleanupMol() [function] [call site] 03224
7 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03225
7 OpenBabel::OBMol::NumBonds() const [function] [call site] 03226
6 OpenBabel::OBChainsParser::ClearResidueInformation(OpenBabel::OBMol&) [function] [call site] 03227
7 OpenBabel::OBMol::NumResidues() const [function] [call site] 03228
7 OpenBabel::OBMol::BeginResidue(std::__1::__wrap_iter<OpenBabel::OBResidue**>&) [function] [call site] 03229
7 OpenBabel::OBMol::NextResidue(std::__1::__wrap_iter<OpenBabel::OBResidue**>&) [function] [call site] 03230
7 OpenBabel::OBMol::DeleteResidue(OpenBabel::OBResidue*, bool) [function] [call site] 03231
8 OpenBabel::OBResidue::GetIdx() const [function] [call site] 03232
8 OpenBabel::OBResidue::SetIdx(unsigned int) [function] [call site] 03233
8 OpenBabel::OBMol::SetSSSRPerceived(bool) [function] [call site] 03234
8 OpenBabel::OBMol::SetLSSRPerceived(bool) [function] [call site] 03235
6 OpenBabel::OBChainsParser::DetermineHetAtoms(OpenBabel::OBMol&) [function] [call site] 03236
7 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03237
7 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 03238
7 OpenBabel::OBAtom::GetHvyDegree() const [function] [call site] 03239
7 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03240
7 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 03241
7 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03242
6 OpenBabel::OBChainsParser::DetermineConnectedChains(OpenBabel::OBMol&) [function] [call site] 03243
7 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03244
7 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03245
7 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03246
7 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 03247
7 OpenBabel::OBChainsParser::RecurseChain(OpenBabel::OBMol&, unsigned int, int) [function] [call site] 03248
8 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 03249
8 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 03250
8 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03251
8 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03252
8 OpenBabel::OBChainsParser::RecurseChain(OpenBabel::OBMol&, unsigned int, int) [function] [call site] 03253
9 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03254
7 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 03255
7 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03256
6 OpenBabel::OBChainsParser::DeterminePeptideBackbone(OpenBabel::OBMol&) [function] [call site] 03257
7 OpenBabel::OBChainsParser::ConstrainBackbone(OpenBabel::OBMol&, OpenBabel::Template*, int) [function] [call site] 03258
8 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03259
8 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03260
8 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 03261
8 OpenBabel::OBAtom::GetHvyDegree() const [function] [call site] 03262
8 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03263
8 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03264
8 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03265
8 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03266
8 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 03267
8 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03268
8 OpenBabel::OBChainsParser::Match4Constraints(OpenBabel::Template*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*) [function] [call site] 03269
9 OpenBabel::OBChainsParser::MatchConstraint(OpenBabel::OBAtom*, int) [function] [call site] 03270
10 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 03271
10 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03272
9 OpenBabel::OBChainsParser::Match3Constraints(OpenBabel::Template*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*) [function] [call site] 03273
10 OpenBabel::OBChainsParser::MatchConstraint(OpenBabel::OBAtom*, int) [function] [call site] 03274
10 OpenBabel::OBChainsParser::Match2Constraints(OpenBabel::Template*, OpenBabel::OBAtom*, OpenBabel::OBAtom*) [function] [call site] 03275
11 OpenBabel::OBChainsParser::MatchConstraint(OpenBabel::OBAtom*, int) [function] [call site] 03276
11 OpenBabel::OBChainsParser::MatchConstraint(OpenBabel::OBAtom*, int) [function] [call site] 03277
11 OpenBabel::OBChainsParser::MatchConstraint(OpenBabel::OBAtom*, int) [function] [call site] 03278
11 OpenBabel::OBChainsParser::MatchConstraint(OpenBabel::OBAtom*, int) [function] [call site] 03279
10 OpenBabel::OBChainsParser::MatchConstraint(OpenBabel::OBAtom*, int) [function] [call site] 03280
10 OpenBabel::OBChainsParser::Match2Constraints(OpenBabel::Template*, OpenBabel::OBAtom*, OpenBabel::OBAtom*) [function] [call site] 03281
10 OpenBabel::OBChainsParser::MatchConstraint(OpenBabel::OBAtom*, int) [function] [call site] 03282
10 OpenBabel::OBChainsParser::Match2Constraints(OpenBabel::Template*, OpenBabel::OBAtom*, OpenBabel::OBAtom*) [function] [call site] 03283
9 OpenBabel::OBChainsParser::MatchConstraint(OpenBabel::OBAtom*, int) [function] [call site] 03284
9 OpenBabel::OBChainsParser::Match3Constraints(OpenBabel::Template*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*) [function] [call site] 03285
9 OpenBabel::OBChainsParser::MatchConstraint(OpenBabel::OBAtom*, int) [function] [call site] 03286
9 OpenBabel::OBChainsParser::Match3Constraints(OpenBabel::Template*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*) [function] [call site] 03287
9 OpenBabel::OBChainsParser::MatchConstraint(OpenBabel::OBAtom*, int) [function] [call site] 03288
9 OpenBabel::OBChainsParser::Match3Constraints(OpenBabel::Template*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*) [function] [call site] 03289
8 OpenBabel::OBChainsParser::Match3Constraints(OpenBabel::Template*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*) [function] [call site] 03290
8 OpenBabel::OBChainsParser::Match2Constraints(OpenBabel::Template*, OpenBabel::OBAtom*, OpenBabel::OBAtom*) [function] [call site] 03291
8 OpenBabel::OBChainsParser::MatchConstraint(OpenBabel::OBAtom*, int) [function] [call site] 03292
8 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03293
7 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03294
7 OpenBabel::OBChainsParser::TracePeptideChain(OpenBabel::OBMol&, unsigned int, int) [function] [call site] 03295
8 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 03296
8 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03297
8 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03298
8 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 03299
8 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03300
8 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03301
8 OpenBabel::OBChainsParser::TracePeptideChain(OpenBabel::OBMol&, unsigned int, int) [function] [call site] 03302
9 OpenBabel::OBChainsParser::TracePeptideChain(OpenBabel::OBMol&, unsigned int, int) [function] [call site] 03303
7 OpenBabel::OBMol::BeginBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03304
7 OpenBabel::OBBond::GetBeginAtomIdx() const [function] [call site] 03305
7 OpenBabel::OBBond::GetEndAtomIdx() const [function] [call site] 03306
7 OpenBabel::OBBond::GetBeginAtomIdx() const [function] [call site] 03307
7 OpenBabel::OBBond::GetEndAtomIdx() const [function] [call site] 03308
7 OpenBabel::OBBond::GetIdx() const [function] [call site] 03309
7 OpenBabel::OBMol::NextBond(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03310
6 OpenBabel::OBChainsParser::DeterminePeptideSidechains(OpenBabel::OBMol&) [function] [call site] 03311
7 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03312
7 OpenBabel::OBChainsParser::IdentifyResidue(void*, OpenBabel::OBMol&, unsigned int, int) [function] [call site] 03313
8 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 03314
8 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 03315
8 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 03316
8 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03317
8 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 03318
8 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03319
8 OpenBabel::OBBond::GetIdx() const [function] [call site] 03320
8 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03321
7 OpenBabel::OBChainsParser::AssignResidue(OpenBabel::OBMol&, int, int, int) [function] [call site] 03322
8 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03323
6 OpenBabel::OBChainsParser::DetermineNucleicBackbone(OpenBabel::OBMol&) [function] [call site] 03324
7 OpenBabel::OBChainsParser::ConstrainBackbone(OpenBabel::OBMol&, OpenBabel::Template*, int) [function] [call site] 03325
7 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03326
7 OpenBabel::OBChainsParser::TraceNucleicChain(OpenBabel::OBMol&, unsigned int, int) [function] [call site] 03327
8 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 03328
8 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03329
8 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 03330
8 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03331
8 OpenBabel::OBAtom::NextNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03332
8 OpenBabel::OBChainsParser::TraceNucleicChain(OpenBabel::OBMol&, unsigned int, int) [function] [call site] 03333
9 OpenBabel::OBChainsParser::TraceNucleicChain(OpenBabel::OBMol&, unsigned int, int) [function] [call site] 03334
10 OpenBabel::OBChainsParser::TraceNucleicChain(OpenBabel::OBMol&, unsigned int, int) [function] [call site] 03335
11 OpenBabel::OBChainsParser::TraceNucleicChain(OpenBabel::OBMol&, unsigned int, int) [function] [call site] 03336
12 OpenBabel::OBChainsParser::TraceNucleicChain(OpenBabel::OBMol&, unsigned int, int) [function] [call site] 03337
6 OpenBabel::OBChainsParser::DetermineNucleicSidechains(OpenBabel::OBMol&) [function] [call site] 03338
7 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03339
7 OpenBabel::OBChainsParser::IdentifyResidue(void*, OpenBabel::OBMol&, unsigned int, int) [function] [call site] 03340
7 OpenBabel::OBChainsParser::AssignResidue(OpenBabel::OBMol&, int, int, int) [function] [call site] 03341
6 OpenBabel::OBChainsParser::DetermineHydrogens(OpenBabel::OBMol&) [function] [call site] 03342
7 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03343
7 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03344
7 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 03345
7 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03346
7 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03347
7 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03348
7 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03349
7 OpenBabel::OBMol::BeginAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03350
7 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 03351
7 OpenBabel::OBAtom::BeginNbrAtom(std::__1::__wrap_iter<OpenBabel::OBBond**>&) [function] [call site] 03352
7 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03353
7 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03354
7 OpenBabel::OBMol::NextAtom(std::__1::__wrap_iter<OpenBabel::OBAtom**>&) [function] [call site] 03355
6 OpenBabel::impl::MolGetAtoms(OpenBabel::OBMol const&) [function] [call site] 03356
6 OpenBabel::OBRange<OpenBabel::OBAtom*, std::__1::__wrap_iter<OpenBabel::OBAtom* const*> >::begin() const [function] [call site] 03357
6 OpenBabel::OBRange<OpenBabel::OBAtom*, std::__1::__wrap_iter<OpenBabel::OBAtom* const*> >::end() const [function] [call site] 03358
6 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03359
6 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 03360
6 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 03361
6 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 03362
6 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 03363
6 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 03364
6 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03365
6 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 03366
6 OpenBabel::impl::MolGetAtoms(OpenBabel::OBMol const&) [function] [call site] 03367
6 OpenBabel::impl::MolGetAtoms(OpenBabel::OBMol const&) [function] [call site] 03368
6 OpenBabel::OBRange<OpenBabel::OBAtom*, std::__1::__wrap_iter<OpenBabel::OBAtom* const*> >::begin() const [function] [call site] 03369
6 OpenBabel::OBRange<OpenBabel::OBAtom*, std::__1::__wrap_iter<OpenBabel::OBAtom* const*> >::end() const [function] [call site] 03370
6 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03371
6 OpenBabel::OBRange<OpenBabel::OBAtom*, std::__1::__wrap_iter<OpenBabel::OBAtom* const*> >::begin() const [function] [call site] 03372
6 OpenBabel::OBRange<OpenBabel::OBAtom*, std::__1::__wrap_iter<OpenBabel::OBAtom* const*> >::end() const [function] [call site] 03373
6 OpenBabel::OBChainsParser::SetResidueInformation(OpenBabel::OBMol&, bool) [function] [call site] 03374
7 OpenBabel::OBMol::NumAtoms() const [function] [call site] 03375
7 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 03376
7 OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const*) [function] [call site] 03377
7 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::begin() const [function] [call site] 03378
7 OpenBabel::OBRange<OpenBabel::OBAtom*, OpenBabel::OBAtomAtomIterAdaptor>::end() const [function] [call site] 03379
7 OpenBabel::OBAtomAtomIterAdaptor::operator!=(OpenBabel::OBAtomAtomIterAdaptor const&) const [function] [call site] 03380
7 OpenBabel::OBAtomAtomIterAdaptor::operator*() const [function] [call site] 03381
7 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03382
7 OpenBabel::OBAtomAtomIterAdaptor::operator++() [function] [call site] 03383
7 OpenBabel::OBMol::NumResidues() const [function] [call site] 03384
7 OpenBabel::OBMol::GetAtom(int) const [function] [call site] 03385
7 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 03386
7 OpenBabel::OBElements::GetSymbol(unsigned int) [function] [call site] 03387
7 toupper [call site] 03388
7 OpenBabel::OBAtom::GetAtomicNum() const [function] [call site] 03389
7 snprintf [call site] 03390
7 snprintf [call site] 03391
7 snprintf [call site] 03392
7 OpenBabel::OBResidue::AddAtom(OpenBabel::OBAtom*) [function] [call site] 03393
7 OpenBabel::OBResidue::SetAtomID(OpenBabel::OBAtom*, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&) [function] [call site] 03394
7 OpenBabel::OBResidue::SetHetAtom(OpenBabel::OBAtom*, bool) [function] [call site] 03395
7 OpenBabel::OBResidue::SetSerialNum(OpenBabel::OBAtom*, unsigned int) [function] [call site] 03396
7 OpenBabel::OBMol::NewResidue() [function] [call site] 03397
7 OpenBabel::OBResidue::SetName(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&) [function] [call site] 03398
8 OpenBabel::SetResidueKeys(char const*, unsigned int&, unsigned int&) [function] [call site] 03399
9 OpenBabel::GetResidueNumber(char const*) [function] [call site] 03400
10 strlen [call site] 03401
10 toupper [call site] 03402
10 toupper [call site] 03403
10 toupper [call site] 03404
7 OpenBabel::OBResidue::SetNum(unsigned int) [function] [call site] 03405
7 OpenBabel::OBResidue::SetChain(char) [function] [call site] 03406
7 OpenBabel::OBResidue::AddAtom(OpenBabel::OBAtom*) [function] [call site] 03407
7 OpenBabel::OBResidue::SetAtomID(OpenBabel::OBAtom*, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&) [function] [call site] 03408
7 OpenBabel::OBResidue::SetHetAtom(OpenBabel::OBAtom*, bool) [function] [call site] 03409
7 OpenBabel::OBResidue::SetSerialNum(OpenBabel::OBAtom*, unsigned int) [function] [call site] 03410
7 OpenBabel::OBMol::NumResidues() const [function] [call site] 03411
7 OpenBabel::OBMol::GetResidue(int) const [function] [call site] 03412
7 OpenBabel::OBResidue::GetName() const [function] [call site] 03413
7 OpenBabel::OBMol::GetResidue(int) const [function] [call site] 03414
7 OpenBabel::OBMol::DeleteResidue(OpenBabel::OBResidue*, bool) [function] [call site] 03415
6 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03416
6 OpenBabel::OBAtom::GetHvyDegree() const [function] [call site] 03417
6 OpenBabel::impl::MolGetAtoms(OpenBabel::OBMol const&) [function] [call site] 03418
6 OpenBabel::OBRange<OpenBabel::OBAtom*, std::__1::__wrap_iter<OpenBabel::OBAtom* const*> >::begin() const [function] [call site] 03419
6 OpenBabel::OBRange<OpenBabel::OBAtom*, std::__1::__wrap_iter<OpenBabel::OBAtom* const*> >::end() const [function] [call site] 03420
6 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03421
6 OpenBabel::OBChainsParser::CleanupMol() [function] [call site] 03422
6 OpenBabel::OBMol::SetChainsPerceived(bool) [function] [call site] 03423
6 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 03424
4 OpenBabel::OBMol::NewAtom() [function] [call site] 03425
5 OpenBabel::OBMol::NewAtom(unsigned long) [function] [call site] 03426
6 OpenBabel::OBAtom::OBAtom() [function] [call site] 03427
6 OpenBabel::OBAtom::SetIdx(int) [function] [call site] 03428
6 OpenBabel::OBAtom::SetParent(OpenBabel::OBMol*) [function] [call site] 03429
6 OpenBabel::OBAtom::SetId(unsigned long) [function] [call site] 03430
6 OpenBabel::OBBase::HasData(unsigned int) [function] [call site] 03431
6 OpenBabel::OBBase::BeginData() [function] [call site] 03432
6 OpenBabel::OBBase::EndData() [function] [call site] 03433
6 OpenBabel::OBGenericData::GetDataType() const [function] [call site] 03434
6 OpenBabel::OBVirtualBond::GetBgn() [function] [call site] 03435
6 OpenBabel::OBVirtualBond::GetEnd() [function] [call site] 03436
6 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03437
6 OpenBabel::OBVirtualBond::GetBgn() [function] [call site] 03438
6 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03439
6 OpenBabel::OBVirtualBond::GetEnd() [function] [call site] 03440
6 OpenBabel::OBVirtualBond::GetBgn() [function] [call site] 03441
6 OpenBabel::OBVirtualBond::GetEnd() [function] [call site] 03442
6 OpenBabel::OBVirtualBond::GetOrder() [function] [call site] 03443
6 OpenBabel::OBMol::AddBond(int, int, int, int, int) [function] [call site] 03444
6 OpenBabel::OBBase::DeleteData(std::__1::vector<OpenBabel::OBGenericData*, std::__1::allocator<OpenBabel::OBGenericData*> >&) [function] [call site] 03445
4 OpenBabel::OBAtom::SetType(char const*) [function] [call site] 03446
5 strncpy [call site] 03447
4 OpenBabel::OBAtom::SetAtomicNum(int) [function] [call site] 03448
4 OpenBabel::OBResidue::AddAtom(OpenBabel::OBAtom*) [function] [call site] 03449
4 OpenBabel::OBResidue::SetAtomID(OpenBabel::OBAtom*, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&) [function] [call site] 03450
4 OpenBabel::OBResidue::IsHetAtom(OpenBabel::OBAtom*) const [function] [call site] 03451
4 OpenBabel::OBResidue::SetHetAtom(OpenBabel::OBAtom*, bool) [function] [call site] 03452
4 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03453
4 OpenBabel::OBMol::AddBond(int, int, int, int, int) [function] [call site] 03454
4 OpenBabel::OBAtom::SetCoordPtr(double**) [function] [call site] 03455
5 OpenBabel::OBAtom::GetIdx() const [function] [call site] 03456
4 OpenBabel::OBAtom::GetId() const [function] [call site] 03457
4 OpenBabel::ImplicitRefToStereo(OpenBabel::OBMol&, unsigned long, unsigned long) [function] [call site] 03458
5 OpenBabel::OBBase::GetAllData(unsigned int) [function] [call site] 03459
5 OpenBabel::OBMessageHandler::ThrowError(std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char> > const&, OpenBabel::obMessageLevel, OpenBabel::errorQualifier) [function] [call site] 03460
5 __dynamic_cast [call site] 03461
5 OpenBabel::OBCisTransStereo::GetConfig(OpenBabel::OBStereo::Shape) const [function] [call site] 03462
5 OpenBabel::OBCisTransStereo::SetConfig(OpenBabel::OBCisTransStereo::Config const&) [function] [call site] 03463
5 OpenBabel::OBCisTransStereo::Config::~Config() [function] [call site] 03464
5 __dynamic_cast [call site] 03465
5 OpenBabel::OBTetrahedralStereo::GetConfig(OpenBabel::OBStereo::Winding, OpenBabel::OBStereo::View) const [function] [call site] 03466
5 OpenBabel::OBTetrahedralStereo::SetConfig(OpenBabel::OBTetrahedralStereo::Config const&) [function] [call site] 03467
5 OpenBabel::OBTetrahedralStereo::Config::~Config() [function] [call site] 03468
4 OpenBabel::OBMol::DecrementMod() [function] [call site] 03469
4 OpenBabel::vector3::~vector3() [function] [call site] 03470
1 OpenBabel::OBSmartsPattern::~OBSmartsPattern() [function] [call site] 03471
1 OpenBabel::OBConversion::~OBConversion() [function] [call site] 03472
2 OpenBabel::OBConversion::SetInStream(std::__1::basic_istream<char, std::__1::char_traits<char> >*, bool) [function] [call site] 03473
2 OpenBabel::OBConversion::SetOutStream(std::__1::basic_ostream<char, std::__1::char_traits<char> >*, bool) [function] [call site] 03474
2 __clang_call_terminate [call site] 03475
1 OpenBabel::OBMol::~OBMol() [function] [call site] 03476