SanitException.h

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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 <utility>
#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(std::string msg) : d_msg(std::move(msg)) {}
  MolSanitizeException(const MolSanitizeException &other)
      : d_msg(other.d_msg) {}
  const char *what() const noexcept override { return d_msg.c_str(); }
  ~MolSanitizeException() noexcept override {}
  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; }
  ~AtomSanitizeException() noexcept override {}
  MolSanitizeException *copy() const override {
    return new AtomSanitizeException(*this);
  }
  std::string getType() const override { 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) {}
  ~AtomValenceException() noexcept override {}
  MolSanitizeException *copy() const override {
    return new AtomValenceException(*this);
  }
  std::string getType() const override { 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) {}
  ~AtomKekulizeException() noexcept override {}
  MolSanitizeException *copy() const override {
    return new AtomKekulizeException(*this);
  }
  std::string getType() const override { return "AtomKekulizeException"; }
};
 
class RDKIT_GRAPHMOL_EXPORT KekulizeException : public MolSanitizeException {
 public:
  KekulizeException(const char *msg, std::vector<unsigned int> indices)
      : MolSanitizeException(msg), d_atomIndices(std::move(indices)) {}
  KekulizeException(const std::string &msg, std::vector<unsigned int> indices)
      : MolSanitizeException(msg), d_atomIndices(std::move(indices)) {}
  KekulizeException(const KekulizeException &other)
      : MolSanitizeException(other), d_atomIndices(other.d_atomIndices) {}
  const std::vector<unsigned int> &getAtomIndices() const {
    return d_atomIndices;
  }
  ~KekulizeException() noexcept override {}
  MolSanitizeException *copy() const override {
    return new KekulizeException(*this);
  }
  std::string getType() const override { return "KekulizeException"; }
 
 protected:
  std::vector<unsigned int> d_atomIndices;
};
 
}  // namespace RDKit
 
#endif