RDKit
Open-source cheminformatics and machine learning.
MolEnumerator.h File Reference
#include <RDGeneral/export.h>
#include <GraphMol/RDKitBase.h>
#include <GraphMol/MolBundle.h>
#include <vector>
#include <map>
#include <string>
#include <memory>

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Classes

class  RDKit::MolEnumerator::MolEnumeratorOp
 abstract base class for the a molecule enumeration operation More...
 
class  RDKit::MolEnumerator::PositionVariationOp
 Molecule enumeration operation corresponding to position variation bonds. More...
 
class  RDKit::MolEnumerator::LinkNodeOp
 Molecule enumeration operation corresponding to LINKNODES. More...
 
struct  RDKit::MolEnumerator::MolEnumeratorParams
 Parameters used to control the molecule enumeration. More...
 

Namespaces

 RDKit
 Std stuff.
 
 RDKit::MolEnumerator
 

Functions

RDKIT_MOLENUMERATOR_EXPORT MolBundle RDKit::MolEnumerator::enumerate (const ROMol &mol, const MolEnumeratorParams &params)