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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 *
what() const noexcept
override {
return d_msg.c_str(); };
34 virtual const char *
message() const noexcept {
return what(); };
39 virtual std::string
getType()
const {
return "MolSanitizeException"; };
59 virtual std::string
getType()
const {
return "AtomSanitizeException"; };
78 std::string
getType()
const {
return "AtomValenceException"; };
94 std::string
getType()
const {
return "AtomKekulizeException"; };
102 const std::vector<unsigned int> &indices)
107 return d_atomIndices;
111 std::string
getType()
const {
return "KekulizeException"; };
unsigned int getAtomIdx() const
virtual ~AtomValenceException() noexcept
std::vector< unsigned int > d_atomIndices
MolSanitizeException * copy() const
KekulizeException(const char *msg, const std::vector< unsigned int > &indices)
AtomSanitizeException(const char *msg, unsigned int atomIdx)
const std::vector< unsigned int > & getAtomIndices() const
virtual const char * message() const noexcept
AtomKekulizeException(const char *msg, unsigned int atomIdx)
virtual MolSanitizeException * copy() const
virtual ~AtomKekulizeException() noexcept
AtomSanitizeException(const std::string &msg, unsigned int atomIdx)
virtual MolSanitizeException * copy() const
Defines the Atom class and associated typedefs.
virtual const char * what() const noexcept override
class for flagging sanitization errors
#define RDKIT_GRAPHMOL_EXPORT
KekulizeException(const KekulizeException &other)
virtual ~AtomSanitizeException() noexcept
virtual ~KekulizeException() noexcept
virtual std::string getType() const
AtomValenceException(const char *msg, unsigned int atomIdx)
AtomKekulizeException(const AtomKekulizeException &other)
virtual std::string getType() const
virtual ~MolSanitizeException() noexcept
MolSanitizeException(const std::string &msg)
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