MolEnumerator.h File Reference

#include <RDGeneral/export.h>
#include <GraphMol/RDKitBase.h>
#include <GraphMol/MolBundle.h>
#include <vector>
#include <map>
#include <string>
#include <memory>
#include <limits>

Go to the source code of this file.

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...
class	RDKit::MolEnumerator::RepeatUnitOp
	Molecule enumeration operation corresponding to SRUs. More...
struct	RDKit::MolEnumerator::MolEnumeratorParams
	Parameters used to control the molecule enumeration. More...

Namespaces
namespace	RDKit
	Std stuff.
namespace	RDKit::MolEnumerator
namespace	RDKit::MolEnumerator::detail

Functions
void	RDKit::MolEnumerator::detail::preserveOrigIndices (ROMol &mol)
void	RDKit::MolEnumerator::detail::removeOrigIndices (ROMol &mol)
RDKIT_MOLENUMERATOR_EXPORT MolBundle	RDKit::MolEnumerator::enumerate (const ROMol &mol, const std::vector< MolEnumeratorParams > &paramsList)
RDKIT_MOLENUMERATOR_EXPORT MolBundle	RDKit::MolEnumerator::enumerate (const ROMol &mol, size_t maxPerOperation=0)
MolBundle	RDKit::MolEnumerator::enumerate (const ROMol &mol, const MolEnumeratorParams &params)

Variables
const std::string	RDKit::MolEnumerator::detail::idxPropName