RDKit::MolEnumerator::LinkNodeOp Class Reference

Molecule enumeration operation corresponding to LINKNODES. More...

#include <MolEnumerator.h>

Inheritance diagram for RDKit::MolEnumerator::LinkNodeOp:

Public Member Functions
	LinkNodeOp ()
	LinkNodeOp (const std::shared_ptr< ROMol > mol)
	LinkNodeOp (const ROMol &mol)
	LinkNodeOp (const LinkNodeOp &other)
LinkNodeOp &	operator= (const LinkNodeOp &other)
std::vector< size_t >	getVariationCounts () const override
	\override More...
std::unique_ptr< ROMol >	operator() (const std::vector< size_t > &which) const override
	\override More...
void	initFromMol (const ROMol &mol) override
	\override More...
std::unique_ptr< MolEnumeratorOp >	copy () const override
	\override More...
Public Member Functions inherited from RDKit::MolEnumerator::MolEnumeratorOp
	MolEnumeratorOp ()
virtual	~MolEnumeratorOp ()
virtual std::vector< size_t >	getVariationCounts () const =0
virtual std::unique_ptr< ROMol >	operator() (const std::vector< size_t > &which) const =0
	returns a the molecule corresponding to a particular variation More...
virtual void	initFromMol (const ROMol &mol)=0
	initializes this operation to work on a particular molecule More...
virtual std::unique_ptr< MolEnumeratorOp >	copy () const =0
	polymorphic copy More...

Detailed Description

Molecule enumeration operation corresponding to LINKNODES.

Definition at line 102 of file MolEnumerator.h.

Constructor & Destructor Documentation

LinkNodeOp() [1/4]

RDKit::MolEnumerator::LinkNodeOp::LinkNodeOp ( )

inline

Definition at line 104 of file MolEnumerator.h.

LinkNodeOp() [2/4]

RDKit::MolEnumerator::LinkNodeOp::LinkNodeOp ( const std::shared_ptr< ROMol >  mol )

inline

Definition at line 105 of file MolEnumerator.h.

References PRECONDITION.

LinkNodeOp() [3/4]

RDKit::MolEnumerator::LinkNodeOp::LinkNodeOp ( const ROMol &  mol )

inline

Definition at line 109 of file MolEnumerator.h.

LinkNodeOp() [4/4]

RDKit::MolEnumerator::LinkNodeOp::LinkNodeOp ( const LinkNodeOp &  other )

inline

Definition at line 110 of file MolEnumerator.h.

Member Function Documentation

copy()

std::unique_ptr< MolEnumeratorOp > RDKit::MolEnumerator::LinkNodeOp::copy ( ) const

inlineoverridevirtual

\override

Implements RDKit::MolEnumerator::MolEnumeratorOp.

Definition at line 142 of file MolEnumerator.h.

getVariationCounts()

std::vector< size_t > RDKit::MolEnumerator::LinkNodeOp::getVariationCounts ( ) const

overridevirtual

\override

Implements RDKit::MolEnumerator::MolEnumeratorOp.

initFromMol()

void RDKit::MolEnumerator::LinkNodeOp::initFromMol ( const ROMol &  mol )

overridevirtual

\override

Implements RDKit::MolEnumerator::MolEnumeratorOp.

operator()()

std::unique_ptr< ROMol > RDKit::MolEnumerator::LinkNodeOp::operator() ( const std::vector< size_t > &  which ) const

overridevirtual

\override

Implements RDKit::MolEnumerator::MolEnumeratorOp.

operator=()

LinkNodeOp & RDKit::MolEnumerator::LinkNodeOp::operator= ( const LinkNodeOp &  other )

inline

Definition at line 118 of file MolEnumerator.h.

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The documentation for this class was generated from the following file:

• MolEnumerator.h