FeatureParser.h

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//
//  Copyright (C) 2004-2006 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.
//
#ifndef __FEATUREPARSER_H_02122004_1810__
#define __FEATUREPARSER_H_02122004_1810__

#include <iostream>
#include <string>
#include <map>
#include "MolChemicalFeatureDef.h"

namespace RDKit{
  //! \brief class used to indicate errors in parsing feature definition
  //!   files.
  class FeatureFileParseException : public std::exception {
  public:
    FeatureFileParseException(unsigned int lineNo,std::string line,std::string msg) :
      d_lineNo(lineNo), d_line(line), d_msg(msg) {};
    unsigned int lineNo () const { return d_lineNo; };
    std::string line () const { return d_line; };
    std::string message () const { return d_msg; };
    ~FeatureFileParseException () throw () {};
  private:
    unsigned int d_lineNo;
    std::string d_line,d_msg;
  };
  
  int parseFeatureData(const std::string &defnText,
                       MolChemicalFeatureDef::CollectionType &featDefs);
  int parseFeatureData(std::istream &istream,
                       MolChemicalFeatureDef::CollectionType &featDefs);
  int parseFeatureFile(const std::string &fileName,
                       MolChemicalFeatureDef::CollectionType &featDefs);


  namespace Local {
    // these functions are exposed only so they can be tested
    void parseAtomType(const std::string &inLine,
                       std::map<std::string,std::string> &atomTypeDefs,
                       const unsigned int &lineNo);
    MolChemicalFeatureDef *parseFeatureDef(std::istream &inStream,
                                        const std::string &inLine,
                                        unsigned int &lineNo,
                                        const std::map<std::string,std::string> &atomTypeDefs);
  }
} // end of namespace RDKit
#endif