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//
// Copyright (C) 2002-2019 Greg Landrum and Rational Discovery LLC
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
#include <RDGeneral/export.h>
#ifndef RD_SANITEXCEPTION_H
#define RD_SANITEXCEPTION_H
#include <RDGeneral/types.h>
#include <GraphMol/GraphMol.h>
#include <GraphMol/Atom.h>
#include <GraphMol/Bond.h>
#include <string>
#include <vector>
#include <exception>
namespace RDKit {
//! class for flagging sanitization errors
class RDKIT_GRAPHMOL_EXPORT MolSanitizeException : public std::exception {
public:
MolSanitizeException(const char *msg) : d_msg(msg){};
MolSanitizeException(const std::string &msg) : d_msg(msg){};
MolSanitizeException(const MolSanitizeException &other)
: d_msg(other.d_msg){};
virtual const char *what() const noexcept override { return d_msg.c_str(); };
virtual ~MolSanitizeException() noexcept {};
virtual MolSanitizeException *copy() const {
return new MolSanitizeException(*this);
};
virtual std::string getType() const { return "MolSanitizeException"; };
protected:
std::string d_msg;
};
class RDKIT_GRAPHMOL_EXPORT AtomSanitizeException
: public MolSanitizeException {
public:
AtomSanitizeException(const char *msg, unsigned int atomIdx)
: MolSanitizeException(msg), d_atomIdx(atomIdx){};
AtomSanitizeException(const std::string &msg, unsigned int atomIdx)
: MolSanitizeException(msg), d_atomIdx(atomIdx){};
AtomSanitizeException(const AtomSanitizeException &other)
: MolSanitizeException(other), d_atomIdx(other.d_atomIdx){};
unsigned int getAtomIdx() const { return d_atomIdx; };
virtual ~AtomSanitizeException() noexcept {};
virtual MolSanitizeException *copy() const {
return new AtomSanitizeException(*this);
};
virtual std::string getType() const { return "AtomSanitizeException"; };
protected:
unsigned int d_atomIdx;
};
class RDKIT_GRAPHMOL_EXPORT AtomValenceException
: public AtomSanitizeException {
public:
AtomValenceException(const char *msg, unsigned int atomIdx)
: AtomSanitizeException(msg, atomIdx){};
AtomValenceException(const std::string &msg, unsigned int atomIdx)
: AtomSanitizeException(msg, atomIdx){};
AtomValenceException(const AtomValenceException &other)
: AtomSanitizeException(other){};
virtual ~AtomValenceException() noexcept {};
MolSanitizeException *copy() const {
return new AtomValenceException(*this);
};
std::string getType() const { return "AtomValenceException"; };
};
class RDKIT_GRAPHMOL_EXPORT AtomKekulizeException
: public AtomSanitizeException {
public:
AtomKekulizeException(const char *msg, unsigned int atomIdx)
: AtomSanitizeException(msg, atomIdx){};
AtomKekulizeException(const std::string &msg, unsigned int atomIdx)
: AtomSanitizeException(msg, atomIdx){};
AtomKekulizeException(const AtomKekulizeException &other)
: AtomSanitizeException(other){};
virtual ~AtomKekulizeException() noexcept {};
MolSanitizeException *copy() const {
return new AtomKekulizeException(*this);
};
std::string getType() const { return "AtomKekulizeException"; };
};
class RDKIT_GRAPHMOL_EXPORT KekulizeException : public MolSanitizeException {
public:
KekulizeException(const char *msg, const std::vector<unsigned int> &indices)
: MolSanitizeException(msg), d_atomIndices(indices){};
KekulizeException(const std::string &msg,
const std::vector<unsigned int> &indices)
: MolSanitizeException(msg), d_atomIndices(indices){};
KekulizeException(const KekulizeException &other)
: MolSanitizeException(other), d_atomIndices(other.d_atomIndices){};
const std::vector<unsigned int> &getAtomIndices() const {
return d_atomIndices;
};
virtual ~KekulizeException() noexcept {};
MolSanitizeException *copy() const { return new KekulizeException(*this); };
std::string getType() const { return "KekulizeException"; };
protected:
std::vector<unsigned int> d_atomIndices;
};
} // namespace RDKit
#endif
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