SLNParse.h

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//
//  Copyright (c) 2008, Novartis Institutes for BioMedical Research Inc.
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//       nor the names of its contributors may be used to endorse or promote
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// Created by Greg Landrum, September 2006
//
#include <RDGeneral/export.h>
#ifndef __RD_SLNPARSE_H__
#define __RD_SLNPARSE_H__
 
#include <string>
#include <exception>
#include <utility>
 
namespace RDKit {
class RWMol;
class ROMol;
 
namespace SLNParse {
RDKIT_SLNPARSE_EXPORT void finalizeQueryMol(ROMol *mol, bool mergeHs);
void CleanupAfterParse(RWMol *mol);
}  // namespace SLNParse
 
RDKIT_SLNPARSE_EXPORT RWMol *SLNToMol(const std::string &smi,
                                      bool sanitize = true, int debugParse = 0);
 
RDKIT_SLNPARSE_EXPORT RWMol *SLNQueryToMol(const std::string &smi,
                                           bool mergeHs = true,
                                           int debugParse = 0);
 
class RDKIT_SLNPARSE_EXPORT SLNParseException : public std::exception {
 public:
  SLNParseException(const char *msg) : _msg(msg) {}
  SLNParseException(std::string msg) : _msg(std::move(msg)) {}
  const char *what() const noexcept override { return _msg.c_str(); }
  ~SLNParseException() noexcept override = default;
 
 private:
  std::string _msg;
};
 
}  // namespace RDKit
#endif