View results by: Directories | Files
| Path | Line Coverage | Function Coverage | Region Coverage |
|---|---|---|---|
src/openbabel/data/chemdrawcdx.h |
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src/openbabel/include/openbabel/alias.h |
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src/openbabel/include/openbabel/atom.h |
35.64% (36/101) |
44.07% (26/59) |
44.05% (37/84) |
src/openbabel/include/openbabel/base.h |
65.12% (28/43) |
50.00% (11/22) |
68.57% (24/35) |
src/openbabel/include/openbabel/bitvec.h |
48.84% (21/43) |
46.15% (6/13) |
48.72% (19/39) |
src/openbabel/include/openbabel/bond.h |
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src/openbabel/include/openbabel/bondtyper.h |
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src/openbabel/include/openbabel/builder.h |
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src/openbabel/include/openbabel/chargemodel.h |
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src/openbabel/include/openbabel/data.h |
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src/openbabel/include/openbabel/depict/painter.h |
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src/openbabel/include/openbabel/descriptor.h |
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src/openbabel/include/openbabel/fingerprint.h |
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src/openbabel/include/openbabel/forcefield.h |
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src/openbabel/include/openbabel/format.h |
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src/openbabel/include/openbabel/generic.h |
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src/openbabel/include/openbabel/grid.h |
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src/openbabel/include/openbabel/groupcontrib.h |
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src/openbabel/include/openbabel/inchiformat.h |
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src/openbabel/include/openbabel/internalcoord.h |
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src/openbabel/include/openbabel/isomorphism.h |
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src/openbabel/include/openbabel/kinetics.h |
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src/openbabel/include/openbabel/lineend.h |
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src/openbabel/include/openbabel/math/matrix3x3.h |
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src/openbabel/include/openbabel/math/spacegroup.h |
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src/openbabel/include/openbabel/math/transform3d.h |
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src/openbabel/include/openbabel/math/vector3.h |
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src/openbabel/include/openbabel/mol.h |
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src/openbabel/include/openbabel/molchrg.h |
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src/openbabel/include/openbabel/obconversion.h |
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src/openbabel/include/openbabel/oberror.h |
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src/openbabel/include/openbabel/obiter.h |
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src/openbabel/include/openbabel/obmolecformat.h |
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src/openbabel/include/openbabel/obutil.h |
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src/openbabel/include/openbabel/op.h |
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src/openbabel/include/openbabel/parsmart.h |
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src/openbabel/include/openbabel/phmodel.h |
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src/openbabel/include/openbabel/plugin.h |
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src/openbabel/include/openbabel/query.h |
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src/openbabel/include/openbabel/reaction.h |
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src/openbabel/include/openbabel/residue.h |
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src/openbabel/include/openbabel/ring.h |
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src/openbabel/include/openbabel/rotamer.h |
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src/openbabel/include/openbabel/rotor.h |
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src/openbabel/include/openbabel/stereo/cistrans.h |
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src/openbabel/include/openbabel/stereo/squareplanar.h |
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src/openbabel/include/openbabel/stereo/stereo.h |
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src/openbabel/include/openbabel/stereo/tetrahedral.h |
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src/openbabel/include/openbabel/stereo/tetranonplanar.h |
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src/openbabel/include/openbabel/stereo/tetraplanar.h |
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src/openbabel/include/openbabel/text.h |
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src/openbabel/include/openbabel/tokenst.h |
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src/openbabel/include/openbabel/typer.h |
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src/openbabel/src/alias.cpp |
0.38% (1/265) |
7.69% (1/13) |
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src/openbabel/src/atom.cpp |
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src/openbabel/src/base.cpp |
50.38% (67/133) |
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src/openbabel/src/bitvec.cpp |
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src/openbabel/src/bond.cpp |
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src/openbabel/src/bondtyper.cpp |
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27.20% (34/125) |
src/openbabel/src/builder.cpp |
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src/openbabel/src/canon.cpp |
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src/openbabel/src/chains.cpp |
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src/openbabel/src/chargemodel.cpp |
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src/openbabel/src/charges/fromfile.cpp |
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src/openbabel/src/charges/gasteiger.cpp |
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src/openbabel/src/charges/mmff94.cpp |
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src/openbabel/src/charges/none.cpp |
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src/openbabel/src/data.cpp |
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src/openbabel/src/depict/depict.cpp |
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src/openbabel/src/depict/svgpainter.cpp |
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src/openbabel/src/descriptor.cpp |
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src/openbabel/src/descriptors/cansmidescriptor.cpp |
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src/openbabel/src/descriptors/cmpdfilter.cpp |
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src/openbabel/src/descriptors/filters.cpp |
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src/openbabel/src/descriptors/groupcontrib.cpp |
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src/openbabel/src/descriptors/inchidescriptor.cpp |
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src/openbabel/src/descriptors/smartsdescriptors.cpp |
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src/openbabel/src/elements.cpp |
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src/openbabel/src/fingerprint.cpp |
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src/openbabel/src/fingerprints/finger2.cpp |
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src/openbabel/src/fingerprints/finger3.cpp |
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src/openbabel/src/fingerprints/fingerecfp.cpp |
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src/openbabel/src/forcefield.cpp |
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src/openbabel/src/forcefields/forcefieldgaff.cpp |
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src/openbabel/src/forcefields/forcefieldgaff.h |
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src/openbabel/src/forcefields/forcefieldghemical.cpp |
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src/openbabel/src/forcefields/forcefieldghemical.h |
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src/openbabel/src/forcefields/forcefieldmmff94.cpp |
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src/openbabel/src/forcefields/forcefieldmmff94.h |
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src/openbabel/src/forcefields/forcefielduff.cpp |
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src/openbabel/src/forcefields/forcefielduff.h |
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src/openbabel/src/format.cpp |
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src/openbabel/src/formats/APIInterface.cpp |
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src/openbabel/src/formats/CSRformat.cpp |
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src/openbabel/src/formats/MCDLformat.cpp |
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src/openbabel/src/formats/MNAformat.cpp |
2.36% (7/297) |
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src/openbabel/src/formats/PQSformat.cpp |
2.54% (6/236) |
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src/openbabel/src/formats/abinitformat.cpp |
3.80% (6/158) |
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src/openbabel/src/formats/acesformat.cpp |
6.70% (12/179) |
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src/openbabel/src/formats/acrformat.cpp |
8.14% (7/86) |
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src/openbabel/src/formats/adfformat.cpp |
4.03% (31/770) |
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src/openbabel/src/formats/alchemyformat.cpp |
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src/openbabel/src/formats/amberformat.cpp |
9.84% (6/61) |
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src/openbabel/src/formats/aoforceformat.cpp |
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src/openbabel/src/formats/balstformat.cpp |
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src/openbabel/src/formats/bgfformat.cpp |
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src/openbabel/src/formats/boxformat.cpp |
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src/openbabel/src/formats/cacaoformat.cpp |
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src/openbabel/src/formats/cacheformat.cpp |
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src/openbabel/src/formats/carformat.cpp |
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src/openbabel/src/formats/castepformat.cpp |
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src/openbabel/src/formats/cccformat.cpp |
7.79% (6/77) |
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src/openbabel/src/formats/chem3dformat.cpp |
6.15% (12/195) |
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src/openbabel/src/formats/chemdrawcdx.cpp |
1.01% (6/596) |
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src/openbabel/src/formats/chemdrawct.cpp |
6.19% (6/97) |
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src/openbabel/src/formats/chemkinformat.cpp |
13.05% (92/705) |
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src/openbabel/src/formats/chemtoolformat.cpp |
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src/openbabel/src/formats/cifformat.cpp |
0.46% (6/1298) |
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src/openbabel/src/formats/copyformat.cpp |
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src/openbabel/src/formats/crkformat.cpp |
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src/openbabel/src/formats/cssrformat.cpp |
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src/openbabel/src/formats/dlpolyformat.cpp |
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src/openbabel/src/formats/dmolformat.cpp |
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src/openbabel/src/formats/exyzformat.cpp |
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src/openbabel/src/formats/fastaformat.cpp |
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src/openbabel/src/formats/fastsearchformat.cpp |
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src/openbabel/src/formats/fchkformat.cpp |
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src/openbabel/src/formats/featformat.cpp |
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src/openbabel/src/formats/fhformat.cpp |
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src/openbabel/src/formats/fhiaimsformat.cpp |
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src/openbabel/src/formats/fingerprintformat.cpp |
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src/openbabel/src/formats/freefracformat.cpp |
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src/openbabel/src/formats/gamessformat.cpp |
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src/openbabel/src/formats/gausscubeformat.cpp |
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src/openbabel/src/formats/gaussformat.cpp |
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src/openbabel/src/formats/gausszmatformat.cpp |
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src/openbabel/src/formats/genbankformat.cpp |
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src/openbabel/src/formats/ghemicalformat.cpp |
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src/openbabel/src/formats/groformat.cpp |
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src/openbabel/src/formats/gromos96format.cpp |
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src/openbabel/src/formats/gulpformat.cpp |
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src/openbabel/src/formats/hinformat.cpp |
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src/openbabel/src/formats/jaguarformat.cpp |
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src/openbabel/src/formats/lmpdatformat.cpp |
1.90% (8/422) |
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src/openbabel/src/formats/mdlformat.cpp |
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src/openbabel/src/formats/mdlvalence.h |
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src/openbabel/src/formats/mmcifformat.cpp |
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src/openbabel/src/formats/mmodformat.cpp |
4.22% (7/166) |
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src/openbabel/src/formats/mol2format.cpp |
1.61% (9/559) |
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src/openbabel/src/formats/moldenformat.cpp |
12.07% (35/290) |
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src/openbabel/src/formats/molproformat.cpp |
5.91% (12/203) |
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src/openbabel/src/formats/molreport.cpp |
7.41% (6/81) |
40.00% (2/5) |
13.64% (3/22) |
src/openbabel/src/formats/mopacformat.cpp |
2.80% (19/679) |
26.67% (4/15) |
1.20% (5/416) |
src/openbabel/src/formats/mpdformat.cpp |
5.81% (9/155) |
25.00% (2/8) |
3.19% (3/94) |
src/openbabel/src/formats/mpqcformat.cpp |
10.81% (12/111) |
40.00% (4/10) |
13.56% (8/59) |
src/openbabel/src/formats/msiformat.cpp |
3.49% (6/172) |
33.33% (2/6) |
3.45% (4/116) |
src/openbabel/src/formats/msmsformat.cpp |
16.22% (6/37) |
25.00% (2/8) |
23.53% (4/17) |
src/openbabel/src/formats/nulformat.cpp |
25.00% (2/8) |
40.00% (2/5) |
50.00% (3/6) |
src/openbabel/src/formats/nwchemformat.cpp |
1.65% (12/729) |
18.18% (4/22) |
1.42% (8/563) |
src/openbabel/src/formats/opendxformat.cpp |
2.97% (6/202) |
25.00% (2/8) |
3.23% (5/155) |
src/openbabel/src/formats/outformat.cpp |
7.83% (9/115) |
40.00% (2/5) |
4.49% (4/89) |
src/openbabel/src/formats/pcmodelformat.cpp |
2.07% (3/145) |
20.00% (1/5) |
1.56% (1/64) |
src/openbabel/src/formats/pdbformat.cpp |
3.58% (29/811) |
15.38% (2/13) |
1.84% (11/598) |
src/openbabel/src/formats/pdbqtformat.cpp |
0.32% (3/937) |
3.57% (1/28) |
0.16% (1/615) |
src/openbabel/src/formats/pointcloudformat.cpp |
3.95% (6/152) |
18.18% (2/11) |
5.06% (4/79) |
src/openbabel/src/formats/povrayformat.cpp |
1.24% (6/482) |
13.33% (2/15) |
2.11% (4/190) |
src/openbabel/src/formats/pqrformat.cpp |
0.70% (3/429) |
10.00% (1/10) |
0.30% (1/332) |
src/openbabel/src/formats/pwscfformat.cpp |
3.37% (6/178) |
33.33% (2/6) |
5.19% (4/77) |
src/openbabel/src/formats/qchemformat.cpp |
4.48% (12/268) |
40.00% (4/10) |
5.19% (8/154) |
src/openbabel/src/formats/reportformat.cpp |
39.94% (123/308) |
72.73% (8/11) |
58.42% (59/101) |
src/openbabel/src/formats/rsmiformat.cpp |
1.71% (3/175) |
10.00% (1/10) |
1.05% (1/95) |
src/openbabel/src/formats/rxnformat.cpp |
1.32% (3/227) |
10.00% (1/10) |
0.47% (1/211) |
src/openbabel/src/formats/shelxformat.cpp |
8.75% (7/80) |
33.33% (2/6) |
6.25% (3/48) |
src/openbabel/src/formats/smilesformat.cpp |
3.43% (102/2975) |
13.33% (10/75) |
2.12% (38/1795) |
src/openbabel/src/formats/smilesvalence.h |
0.00% (0/65) |
0.00% (0/2) |
0.00% (0/55) |
src/openbabel/src/formats/stlformat.cpp |
3.73% (6/161) |
16.67% (2/12) |
3.60% (4/111) |
src/openbabel/src/formats/svgformat.cpp |
2.93% (11/375) |
22.22% (2/9) |
3.85% (8/208) |
src/openbabel/src/formats/textformat.cpp |
6.38% (3/47) |
20.00% (1/5) |
5.88% (1/17) |
src/openbabel/src/formats/thermoformat.cpp |
2.86% (4/140) |
25.00% (1/4) |
1.02% (1/98) |
src/openbabel/src/formats/tinkerformat.cpp |
5.57% (23/413) |
42.86% (3/7) |
3.84% (14/365) |
src/openbabel/src/formats/titleformat.cpp |
12.50% (4/32) |
40.00% (2/5) |
15.00% (3/20) |
src/openbabel/src/formats/turbomoleformat.cpp |
6.48% (7/108) |
28.57% (2/7) |
5.88% (4/68) |
src/openbabel/src/formats/unichemformat.cpp |
6.67% (6/90) |
33.33% (2/6) |
8.89% (4/45) |
src/openbabel/src/formats/vaspformat.cpp |
2.45% (13/530) |
18.18% (2/11) |
1.49% (4/269) |
src/openbabel/src/formats/viewmolformat.cpp |
5.04% (6/119) |
33.33% (2/6) |
5.41% (4/74) |
src/openbabel/src/formats/xedformat.cpp |
5.77% (6/104) |
40.00% (2/5) |
8.00% (4/50) |
src/openbabel/src/formats/xsfformat.cpp |
5.47% (7/128) |
40.00% (2/5) |
5.13% (4/78) |
src/openbabel/src/formats/xyzformat.cpp |
1.48% (3/203) |
16.67% (1/6) |
1.20% (1/83) |
src/openbabel/src/formats/yasaraformat.cpp |
2.21% (6/271) |
8.00% (2/25) |
1.97% (5/254) |
src/openbabel/src/formats/zindoformat.cpp |
3.82% (6/157) |
40.00% (2/5) |
6.78% (4/59) |
src/openbabel/src/generic.cpp |
2.75% (22/800) |
7.69% (8/104) |
4.12% (21/510) |
src/openbabel/src/graphsym.cpp |
35.60% (110/309) |
57.89% (11/19) |
18.40% (30/163) |
src/openbabel/src/grid.cpp |
0.00% (0/350) |
0.00% (0/22) |
0.00% (0/169) |
src/openbabel/src/griddata.cpp |
0.00% (0/103) |
0.00% (0/30) |
0.00% (0/32) |
src/openbabel/src/isomorphism.cpp |
0.00% (0/439) |
0.00% (0/33) |
0.00% (0/308) |
src/openbabel/src/kekulize.cpp |
0.00% (0/262) |
0.00% (0/13) |
0.00% (0/239) |
src/openbabel/src/locale.cpp |
78.12% (25/32) |
66.67% (4/6) |
69.23% (9/13) |
src/openbabel/src/math/matrix3x3.cpp |
0.00% (0/292) |
0.00% (0/21) |
0.00% (0/111) |
src/openbabel/src/math/spacegroup.cpp |
1.68% (8/475) |
5.00% (1/20) |
0.53% (2/377) |
src/openbabel/src/math/transform3d.cpp |
0.00% (0/87) |
0.00% (0/5) |
0.00% (0/69) |
src/openbabel/src/math/vector3.cpp |
0.00% (0/113) |
0.00% (0/15) |
0.00% (0/51) |
src/openbabel/src/mcdlutil.cpp |
0.00% (0/5440) |
0.00% (0/140) |
0.00% (0/4539) |
src/openbabel/src/mol.cpp |
16.78% (503/2998) |
23.44% (30/128) |
14.63% (286/1955) |
src/openbabel/src/molchrg.cpp |
20.00% (47/235) |
83.33% (5/6) |
17.27% (19/110) |
src/openbabel/src/obconversion.cpp |
21.12% (208/985) |
32.31% (21/65) |
26.07% (146/560) |
src/openbabel/src/oberror.cpp |
19.23% (20/104) |
36.36% (4/11) |
22.78% (18/79) |
src/openbabel/src/obfunctions.cpp |
0.00% (0/904) |
0.00% (0/3) |
0.00% (0/1022) |
src/openbabel/src/obiter.cpp |
1.42% (10/706) |
1.30% (1/77) |
0.95% (3/317) |
src/openbabel/src/obmolecformat.cpp |
15.76% (58/368) |
33.33% (3/9) |
22.83% (50/219) |
src/openbabel/src/obutil.cpp |
0.34% (3/878) |
2.86% (1/35) |
0.20% (1/496) |
src/openbabel/src/ops/addinindex.cpp |
6.67% (1/15) |
25.00% (1/4) |
28.57% (2/7) |
src/openbabel/src/ops/addnonpolarh.cpp |
10.00% (1/10) |
25.00% (1/4) |
25.00% (2/8) |
src/openbabel/src/ops/addpolarh.cpp |
10.00% (1/10) |
25.00% (1/4) |
25.00% (2/8) |
src/openbabel/src/ops/canonical.cpp |
4.76% (1/21) |
25.00% (1/4) |
15.38% (2/13) |
src/openbabel/src/ops/deferred.h |
0.00% (0/41) |
0.00% (0/4) |
0.00% (0/19) |
src/openbabel/src/ops/delnonpolarh.cpp |
10.00% (1/10) |
25.00% (1/4) |
25.00% (2/8) |
src/openbabel/src/ops/delpolarh.cpp |
10.00% (1/10) |
25.00% (1/4) |
25.00% (2/8) |
src/openbabel/src/ops/fillUC.cpp |
1.66% (3/181) |
16.67% (1/6) |
1.47% (2/136) |
src/openbabel/src/ops/forcefield.cpp |
1.20% (2/167) |
25.00% (2/8) |
5.63% (4/71) |
src/openbabel/src/ops/gen2D.cpp |
5.00% (1/20) |
25.00% (1/4) |
18.18% (2/11) |
src/openbabel/src/ops/gen3d.cpp |
0.93% (1/108) |
25.00% (1/4) |
2.50% (2/80) |
src/openbabel/src/ops/opisomorph.cpp |
0.00% (0/273) |
0.00% (0/6) |
0.00% (0/175) |
src/openbabel/src/ops/opisomorph.h |
33.33% (1/3) |
33.33% (1/3) |
50.00% (2/4) |
src/openbabel/src/ops/partialcharges.cpp |
7.32% (3/41) |
25.00% (1/4) |
10.00% (2/20) |
src/openbabel/src/ops/readconformers.cpp |
2.04% (1/49) |
20.00% (1/5) |
9.09% (2/22) |
src/openbabel/src/ops/sort.cpp |
4.40% (4/91) |
14.29% (1/7) |
4.55% (2/44) |
src/openbabel/src/ops/xout.cpp |
1.37% (1/73) |
14.29% (1/7) |
4.35% (2/46) |
src/openbabel/src/parsmart.cpp |
39.17% (758/1935) |
70.97% (44/62) |
37.45% (525/1402) |
src/openbabel/src/phmodel.cpp |
42.45% (118/278) |
55.56% (5/9) |
48.29% (113/234) |
src/openbabel/src/plugin.cpp |
18.34% (53/289) |
50.00% (5/10) |
48.10% (38/79) |
src/openbabel/src/query.cpp |
0.00% (0/37) |
0.00% (0/3) |
0.00% (0/20) |
src/openbabel/src/rand.cpp |
0.00% (0/337) |
0.00% (0/16) |
0.00% (0/185) |
src/openbabel/src/rand.h |
0.00% (0/3) |
0.00% (0/1) |
0.00% (0/1) |
src/openbabel/src/reactionfacade.cpp |
0.00% (0/256) |
0.00% (0/29) |
0.00% (0/149) |
src/openbabel/src/residue.cpp |
0.00% (0/878) |
0.00% (0/44) |
0.00% (0/808) |
src/openbabel/src/ring.cpp |
9.49% (47/495) |
13.79% (4/29) |
6.65% (21/316) |
src/openbabel/src/rotamer.cpp |
0.00% (0/455) |
0.00% (0/19) |
0.00% (0/216) |
src/openbabel/src/rotor.cpp |
0.00% (0/758) |
0.00% (0/30) |
0.00% (0/418) |
src/openbabel/src/stereo/cistrans.cpp |
0.00% (0/278) |
0.00% (0/17) |
0.00% (0/223) |
src/openbabel/src/stereo/facade.cpp |
0.00% (0/125) |
0.00% (0/17) |
0.00% (0/81) |
src/openbabel/src/stereo/gen3dstereohelper.cpp |
0.00% (0/51) |
0.00% (0/2) |
0.00% (0/32) |
src/openbabel/src/stereo/perception.cpp |
2.76% (53/1920) |
12.50% (7/56) |
1.49% (22/1477) |
src/openbabel/src/stereo/squareplanar.cpp |
0.00% (0/174) |
0.00% (0/15) |
0.00% (0/141) |
src/openbabel/src/stereo/stereo.cpp |
0.00% (0/52) |
0.00% (0/5) |
0.00% (0/45) |
src/openbabel/src/stereo/stereoutil.h |
0.00% (0/2) |
0.00% (0/2) |
0.00% (0/2) |
src/openbabel/src/stereo/tetrahedral.cpp |
0.00% (0/174) |
0.00% (0/11) |
0.00% (0/145) |
src/openbabel/src/stereo/tetranonplanar.cpp |
0.00% (0/5) |
0.00% (0/2) |
0.00% (0/3) |
src/openbabel/src/stereo/tetraplanar.cpp |
0.00% (0/5) |
0.00% (0/2) |
0.00% (0/3) |
src/openbabel/src/tokenst.cpp |
59.38% (76/128) |
66.67% (4/6) |
52.56% (41/78) |
src/openbabel/src/transform.cpp |
1.69% (3/177) |
50.00% (1/2) |
3.70% (3/81) |
src/openbabel/src/typer.cpp |
1.20% (8/664) |
4.55% (1/22) |
0.44% (2/456) |
src/openbabel/test/fuzz/fuzz_convert.cpp |
96.00% (24/25) |
100.00% (3/3) |
83.33% (5/6) |
Totals |
5.74% (4861/84751) |
15.66% (641/4092) |
5.09% (2976/58436) |