RDKit
Open-source cheminformatics and machine learning.
RGroupMatch.h File Reference
#include "RGroupData.h"

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Classes

struct  RDKit::RGroupMatch
 RGroupMatch is the decomposition for a single molecule. More...
 

Namespaces

namespace  RDKit
 Std stuff.
 

Typedefs

typedef boost::shared_ptr< RGroupData > RDKit::RData
 
typedef std::map< int, RData > RDKit::R_DECOMP