/src/rdkit/Code/GraphMol/SanitException.h
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1 | | // |
2 | | // Copyright (C) 2002-2019 Greg Landrum and Rational Discovery LLC |
3 | | // |
4 | | // @@ All Rights Reserved @@ |
5 | | // This file is part of the RDKit. |
6 | | // The contents are covered by the terms of the BSD license |
7 | | // which is included in the file license.txt, found at the root |
8 | | // of the RDKit source tree. |
9 | | // |
10 | | |
11 | | #include <RDGeneral/export.h> |
12 | | #ifndef RD_SANITEXCEPTION_H |
13 | | #define RD_SANITEXCEPTION_H |
14 | | |
15 | | #include <RDGeneral/types.h> |
16 | | #include <GraphMol/GraphMol.h> |
17 | | #include <GraphMol/Atom.h> |
18 | | #include <GraphMol/Bond.h> |
19 | | |
20 | | #include <string> |
21 | | #include <utility> |
22 | | #include <vector> |
23 | | #include <exception> |
24 | | |
25 | | namespace RDKit { |
26 | | |
27 | | //! class for flagging sanitization errors |
28 | | class RDKIT_GRAPHMOL_EXPORT MolSanitizeException : public std::exception { |
29 | | public: |
30 | 0 | MolSanitizeException(const char *msg) : d_msg(msg) {} |
31 | 5.99k | MolSanitizeException(std::string msg) : d_msg(std::move(msg)) {} |
32 | | MolSanitizeException(const MolSanitizeException &other) |
33 | 0 | : d_msg(other.d_msg) {} |
34 | 0 | const char *what() const noexcept override { return d_msg.c_str(); } |
35 | 5.99k | ~MolSanitizeException() noexcept override {} |
36 | 0 | virtual MolSanitizeException *copy() const { |
37 | 0 | return new MolSanitizeException(*this); |
38 | 0 | } |
39 | 0 | virtual std::string getType() const { return "MolSanitizeException"; } |
40 | | |
41 | | protected: |
42 | | std::string d_msg; |
43 | | }; |
44 | | |
45 | | class RDKIT_GRAPHMOL_EXPORT AtomSanitizeException |
46 | | : public MolSanitizeException { |
47 | | public: |
48 | | AtomSanitizeException(const char *msg, unsigned int atomIdx) |
49 | 0 | : MolSanitizeException(msg), d_atomIdx(atomIdx) {} |
50 | | AtomSanitizeException(const std::string &msg, unsigned int atomIdx) |
51 | 3.97k | : MolSanitizeException(msg), d_atomIdx(atomIdx) {} |
52 | | AtomSanitizeException(const AtomSanitizeException &other) |
53 | 0 | : MolSanitizeException(other), d_atomIdx(other.d_atomIdx) {} |
54 | 0 | unsigned int getAtomIdx() const { return d_atomIdx; } |
55 | 0 | ~AtomSanitizeException() noexcept override {} |
56 | 0 | MolSanitizeException *copy() const override { |
57 | 0 | return new AtomSanitizeException(*this); |
58 | 0 | } |
59 | 0 | std::string getType() const override { return "AtomSanitizeException"; } |
60 | | |
61 | | protected: |
62 | | unsigned int d_atomIdx; |
63 | | }; |
64 | | |
65 | | class RDKIT_GRAPHMOL_EXPORT AtomValenceException |
66 | | : public AtomSanitizeException { |
67 | | public: |
68 | | AtomValenceException(const char *msg, unsigned int atomIdx) |
69 | 0 | : AtomSanitizeException(msg, atomIdx) {} |
70 | | AtomValenceException(const std::string &msg, unsigned int atomIdx) |
71 | 2.63k | : AtomSanitizeException(msg, atomIdx) {} |
72 | | AtomValenceException(const AtomValenceException &other) |
73 | 0 | : AtomSanitizeException(other) {} |
74 | 0 | ~AtomValenceException() noexcept override {} |
75 | 0 | MolSanitizeException *copy() const override { |
76 | 0 | return new AtomValenceException(*this); |
77 | 0 | } |
78 | 0 | std::string getType() const override { return "AtomValenceException"; } |
79 | | }; |
80 | | |
81 | | class RDKIT_GRAPHMOL_EXPORT AtomKekulizeException |
82 | | : public AtomSanitizeException { |
83 | | public: |
84 | | AtomKekulizeException(const char *msg, unsigned int atomIdx) |
85 | 0 | : AtomSanitizeException(msg, atomIdx) {} |
86 | | AtomKekulizeException(const std::string &msg, unsigned int atomIdx) |
87 | 1.33k | : AtomSanitizeException(msg, atomIdx) {} |
88 | | AtomKekulizeException(const AtomKekulizeException &other) |
89 | 0 | : AtomSanitizeException(other) {} |
90 | 0 | ~AtomKekulizeException() noexcept override {} |
91 | 0 | MolSanitizeException *copy() const override { |
92 | 0 | return new AtomKekulizeException(*this); |
93 | 0 | } |
94 | 0 | std::string getType() const override { return "AtomKekulizeException"; } |
95 | | }; |
96 | | |
97 | | class RDKIT_GRAPHMOL_EXPORT KekulizeException : public MolSanitizeException { |
98 | | public: |
99 | | KekulizeException(const char *msg, std::vector<unsigned int> indices) |
100 | 0 | : MolSanitizeException(msg), d_atomIndices(std::move(indices)) {} |
101 | | KekulizeException(const std::string &msg, std::vector<unsigned int> indices) |
102 | 2.02k | : MolSanitizeException(msg), d_atomIndices(std::move(indices)) {} |
103 | | KekulizeException(const KekulizeException &other) |
104 | 0 | : MolSanitizeException(other), d_atomIndices(other.d_atomIndices) {} |
105 | 0 | const std::vector<unsigned int> &getAtomIndices() const { |
106 | 0 | return d_atomIndices; |
107 | 0 | } |
108 | 2.02k | ~KekulizeException() noexcept override {} |
109 | 0 | MolSanitizeException *copy() const override { |
110 | 0 | return new KekulizeException(*this); |
111 | 0 | } |
112 | 0 | std::string getType() const override { return "KekulizeException"; } |
113 | | |
114 | | protected: |
115 | | std::vector<unsigned int> d_atomIndices; |
116 | | }; |
117 | | |
118 | | } // namespace RDKit |
119 | | |
120 | | #endif |