RDKit
Open-source cheminformatics and machine learning.
FragmentCatalogUtils.h File Reference
#include <RDGeneral/export.h>
#include <GraphMol/RDKitBase.h>
#include "FragmentCatalogParams.h"
#include <GraphMol/Substruct/SubstructMatch.h>
#include <iostream>

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Namespaces

 RDKit
 Std stuff.
 
 RDKit::MolStandardize
 

Functions

RDKIT_MOLSTANDARDIZE_EXPORT std::vector< std::shared_ptr< ROMol > > RDKit::MolStandardize::readFuncGroups (std::string fileName)
 
RDKIT_MOLSTANDARDIZE_EXPORT std::vector< std::shared_ptr< ROMol > > RDKit::MolStandardize::readFuncGroups (std::istream &inStream, int nToRead=-1)