RDKit
Open-source cheminformatics and machine learning.
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FeatureParser.h File Reference
#include <RDGeneral/export.h>
#include <iostream>
#include <string>
#include <map>
#include <utility>
#include "MolChemicalFeatureDef.h"

Go to the source code of this file.

Classes

class  RDKit::FeatureFileParseException
 class used to indicate errors in parsing feature definition files. More...
 

Namespaces

namespace  RDKit
 Std stuff.
 
namespace  RDKit::Local
 

Functions

RDKIT_MOLCHEMICALFEATURES_EXPORT int RDKit::parseFeatureData (const std::string &defnText, MolChemicalFeatureDef::CollectionType &featDefs)
 
RDKIT_MOLCHEMICALFEATURES_EXPORT int RDKit::parseFeatureData (std::istream &istream, MolChemicalFeatureDef::CollectionType &featDefs)
 
RDKIT_MOLCHEMICALFEATURES_EXPORT int RDKit::parseFeatureFile (const std::string &fileName, MolChemicalFeatureDef::CollectionType &featDefs)
 
RDKIT_MOLCHEMICALFEATURES_EXPORT void RDKit::Local::parseAtomType (const std::string &inLine, std::map< std::string, std::string > &atomTypeDefs, const unsigned int &lineNo)
 
RDKIT_MOLCHEMICALFEATURES_EXPORT MolChemicalFeatureDefRDKit::Local::parseFeatureDef (std::istream &inStream, const std::string &inLine, unsigned int &lineNo, const std::map< std::string, std::string > &atomTypeDefs)