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RDKit
Open-source cheminformatics and machine learning.
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12 #ifndef RD_SANITEXCEPTION_H
13 #define RD_SANITEXCEPTION_H
32 : d_msg(other.d_msg){};
33 virtual const char *
message()
const {
return d_msg.c_str(); };
38 virtual std::string
getType()
const {
return "MolSanitizeException"; };
58 virtual std::string
getType()
const {
return "AtomSanitizeException"; };
61 unsigned int d_atomIdx;
77 std::string
getType()
const {
return "AtomValenceException"; };
93 std::string
getType()
const {
return "AtomKekulizeException"; };
101 const std::vector<unsigned int> &indices)
106 return d_atomIndices;
110 std::string
getType()
const {
return "KekulizeException"; };
113 std::vector<unsigned int> d_atomIndices;
unsigned int getAtomIdx() const
virtual ~MolSanitizeException()
MolSanitizeException * copy() const
KekulizeException(const char *msg, const std::vector< unsigned int > &indices)
virtual ~AtomKekulizeException()
AtomSanitizeException(const char *msg, unsigned int atomIdx)
const std::vector< unsigned int > & getAtomIndices() const
AtomKekulizeException(const char *msg, unsigned int atomIdx)
virtual ~AtomSanitizeException()
virtual MolSanitizeException * copy() const
AtomSanitizeException(const std::string &msg, unsigned int atomIdx)
virtual MolSanitizeException * copy() const
Defines the Atom class and associated typedefs.
class for flagging sanitization errors
#define RDKIT_GRAPHMOL_EXPORT
KekulizeException(const KekulizeException &other)
virtual ~AtomValenceException()
virtual std::string getType() const
AtomValenceException(const char *msg, unsigned int atomIdx)
AtomKekulizeException(const AtomKekulizeException &other)
virtual std::string getType() const
MolSanitizeException(const std::string &msg)
virtual const char * message() const
virtual ~KekulizeException()
AtomKekulizeException(const std::string &msg, unsigned int atomIdx)
MolSanitizeException(const MolSanitizeException &other)
MolSanitizeException * copy() const
std::string getType() const
std::string getType() const
std::string getType() const
AtomValenceException(const AtomValenceException &other)
AtomSanitizeException(const AtomSanitizeException &other)
MolSanitizeException(const char *msg)
KekulizeException(const std::string &msg, const std::vector< unsigned int > &indices)
AtomValenceException(const std::string &msg, unsigned int atomIdx)
MolSanitizeException * copy() const