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