RDKit
Open-source cheminformatics and machine learning.
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MolChemicalFeatureFactory.h File Reference
#include <RDGeneral/export.h>
#include "MolChemicalFeatureDef.h"
#include <iostream>
#include <boost/shared_ptr.hpp>

Go to the source code of this file.

Classes

class  RDKit::MolChemicalFeatureFactory
 The class for finding chemical features in molecules. More...

Namespaces

namespace  RDKit
 Std stuff.

Typedefs

typedef boost::shared_ptr< MolChemicalFeatureRDKit::FeatSPtr
typedef std::list< FeatSPtrRDKit::FeatSPtrList
typedef FeatSPtrList::iterator RDKit::FeatSPtrList_I

Functions

RDKIT_MOLCHEMICALFEATURES_EXPORT MolChemicalFeatureFactoryRDKit::buildFeatureFactory (std::istream &inStream)
 constructs a MolChemicalFeatureFactory from the data in a stream
RDKIT_MOLCHEMICALFEATURES_EXPORT MolChemicalFeatureFactoryRDKit::buildFeatureFactory (const std::string &featureData)
 constructs a MolChemicalFeatureFactory from the data in a string