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

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Classes

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

Namespaces

 RDKit
 Includes a bunch of functionality for handling Atom and Bond queries.
 
 RDKit::Local
 

Functions

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