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

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Classes

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

Namespaces

namespace  RDKit
 

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


Typedefs

typedef boost::shared_ptr
< MolChemicalFeature > 
RDKit::FeatSPtr
typedef std::list< FeatSPtr > RDKit::FeatSPtrList
typedef FeatSPtrList::iterator RDKit::FeatSPtrList_I

Functions

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