RDKit: RascalMCES.h File Reference

| RDKit Open-source cheminformatics and machine learning.

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Namespaces | Functions
RascalMCES.h File Reference
`#include <RDGeneral/export.h>`
`#include <vector>`
`#include <GraphMol/RascalMCES/RascalClusterOptions.h>`
`#include <GraphMol/RascalMCES/RascalOptions.h>`
`#include <GraphMol/RascalMCES/RascalResult.h>`

Go to the source code of this file.

## Namespaces
namespace | RDKit
| Std stuff.
namespace | RDKit::RascalMCES

## Functions
RDKIT_RASCALMCES_EXPORT std::vector< RascalResult > | RDKit::RascalMCES::rascalMCES (const ROMol &mol1, const ROMol &mol2, const RascalOptions &opts=RascalOptions())
RDKIT_RASCALMCES_EXPORT std::vector< std::vector< unsigned int > > | RDKit::RascalMCES::rascalCluster (const std::vector< std::shared_ptr< ROMol > > &mols, const RascalClusterOptions &clusOpts=RascalClusterOptions())
RDKIT_RASCALMCES_EXPORT std::vector< std::vector< unsigned int > > | RDKit::RascalMCES::rascalButinaCluster (const std::vector< std::shared_ptr< ROMol > > &mols, const RascalClusterOptions &clusOpts=RascalClusterOptions())