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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.
//
#include <RDGeneral/export.h>
#ifndef __FEATUREPARSER_H_02122004_1810__
#define __FEATUREPARSER_H_02122004_1810__
#include <string>
#include <map>
#include <utility>
#include "MolChemicalFeatureDef.h"
namespace RDKit {
//! \brief class used to indicate errors in parsing feature definition
//! files.
class RDKIT_MOLCHEMICALFEATURES_EXPORT FeatureFileParseException
: public std::exception {
public:
FeatureFileParseException(unsigned int lineNo, std::string line,
std::string msg)
: d_lineNo(lineNo), d_line(std::move(line)), d_msg(std::move(msg)) {}
unsigned int lineNo() const { return d_lineNo; }
std::string line() const { return d_line; }
const char *what() const noexcept override { return d_msg.c_str(); }
~FeatureFileParseException() noexcept override = default;
private:
unsigned int d_lineNo;
std::string d_line, d_msg;
};
RDKIT_MOLCHEMICALFEATURES_EXPORT int parseFeatureData(
const std::string &defnText,
MolChemicalFeatureDef::CollectionType &featDefs);
RDKIT_MOLCHEMICALFEATURES_EXPORT int parseFeatureData(
std::istream &istream, MolChemicalFeatureDef::CollectionType &featDefs);
RDKIT_MOLCHEMICALFEATURES_EXPORT int parseFeatureFile(
const std::string &fileName,
MolChemicalFeatureDef::CollectionType &featDefs);
namespace Local {
// these functions are exposed only so they can be tested
RDKIT_MOLCHEMICALFEATURES_EXPORT void parseAtomType(
const std::string &inLine, std::map<std::string, std::string> &atomTypeDefs,
const unsigned int &lineNo);
RDKIT_MOLCHEMICALFEATURES_EXPORT MolChemicalFeatureDef *parseFeatureDef(
std::istream &inStream, const std::string &inLine, unsigned int &lineNo,
const std::map<std::string, std::string> &atomTypeDefs);
} // namespace Local
} // end of namespace RDKit
#endif
MolChemicalFeatureDef.h
RDKit::FeatureFileParseException::what
const char * what() const noexcept override
Definition FeatureParser.h:30
RDKit::FeatureFileParseException::~FeatureFileParseException
~FeatureFileParseException() noexcept override=default
RDKit::FeatureFileParseException::line
std::string line() const
Definition FeatureParser.h:29
RDKit::FeatureFileParseException::FeatureFileParseException
FeatureFileParseException(unsigned int lineNo, std::string line, std::string msg)
Definition FeatureParser.h:25
RDKit::FeatureFileParseException::lineNo
unsigned int lineNo() const
Definition FeatureParser.h:28
RDKit::MolChemicalFeatureDef
Definition MolChemicalFeatureDef.h:25
export.h
RDKIT_MOLCHEMICALFEATURES_EXPORT
#define RDKIT_MOLCHEMICALFEATURES_EXPORT
Definition export.h:313
RDKit::Local
Definition FeatureParser.h:47
RDKit::Local::parseFeatureDef
RDKIT_MOLCHEMICALFEATURES_EXPORT MolChemicalFeatureDef * parseFeatureDef(std::istream &inStream, const std::string &inLine, unsigned int &lineNo, const std::map< std::string, std::string > &atomTypeDefs)
RDKit::Local::parseAtomType
RDKIT_MOLCHEMICALFEATURES_EXPORT void parseAtomType(const std::string &inLine, std::map< std::string, std::string > &atomTypeDefs, const unsigned int &lineNo)
RDKit
Std stuff.
Definition Abbreviations.h:19
RDKit::parseFeatureData
RDKIT_MOLCHEMICALFEATURES_EXPORT int parseFeatureData(const std::string &defnText, MolChemicalFeatureDef::CollectionType &featDefs)
RDKit::parseFeatureFile
RDKIT_MOLCHEMICALFEATURES_EXPORT int parseFeatureFile(const std::string &fileName, MolChemicalFeatureDef::CollectionType &featDefs)