#include <MoleculeDecomposition.hh>

Inheritance diagram for ggl::chem::MoleculeDecomposition::MC_MC_RingNode:

Public Member Functions
virtual MC_Node *	clone (void) const

virtual bool	isConstrainedLabel (const std::string &label) const

virtual bool	isConstraining (const size_t nodeID) const

virtual bool	isValidMatch (const Pattern_Interface &pattern, const Graph_Interface &target, const Match &match) const

virtual bool	isValidMatch (const sgm::Pattern_Interface &pattern, const sgm::Graph_Interface &target, const size_t matchedTargetID) const

	MC_MC_RingNode (const size_t constrainedNodeID, const RingNodes &ringNodes)

	MC_MC_RingNode (const MC_MC_RingNode &toCopy)

virtual bool	operator== (const sgm::Pattern_Interface::Match_Constraint &toCompare) const

virtual MC_Node *	remap (const sgm::Match &old2newIndexMapping, const size_t unmatchedIndex=UINT_MAX)

virtual	~MC_MC_RingNode ()
	destruction More...

Data Fields
size_t	constrainedNodeID
	the node ID to be constrained More...

const RingNodes *	ringNodes

Detailed Description

Node constraint to ensure that a matched node is part of a ring based on the given ring node set information.

This increases the probability that the ring fragment constraints, that are checked only for full matches, are fulfilled.

Definition at line 313 of file MoleculeDecomposition.hh.

Constructor & Destructor Documentation

ggl::chem::MoleculeDecomposition::MC_MC_RingNode::MC_MC_RingNode	(	const size_t	constrainedNodeID,
		const RingNodes &	ringNodes
	)

inline

construction

Parameters

constrainedNodeID	the node ID to be constrained
ringNodes	the set of possible ring node ids the constrainedNodeID can be matched on

Definition at line 325 of file MoleculeDecomposition.hh.

ggl::chem::MoleculeDecomposition::MC_MC_RingNode::MC_MC_RingNode ( const MC_MC_RingNode & toCopy )

inline

copy construction

Parameters

toCopy the object to copy

Definition at line 332 of file MoleculeDecomposition.hh.

virtual ggl::chem::MoleculeDecomposition::MC_MC_RingNode::~MC_MC_RingNode ( )

inlinevirtual

Definition at line 339 of file MoleculeDecomposition.hh.

Member Function Documentation

virtual MC_Node* ggl::chem::MoleculeDecomposition::MC_MC_RingNode::clone ( void ) const

inlinevirtual

Creates a new heap object that equals the current object. NOTE: YOU have to delete it later on! There is no garbage collection!

Returns: a new allocated object that equals this

Implements sgm::MC_Node.

Definition at line 350 of file MoleculeDecomposition.hh.

virtual bool ggl::chem::MoleculeDecomposition::MC_MC_RingNode::isConstrainedLabel ( const std::string & label ) const

inlinevirtual

Checks whether or not a given label is part of the constraint information. This check is needed by some parsers to verify the wildcard definition.

Parameters

label the label of interest

Returns: false, since no label information is used/stored

Implements sgm::Pattern_Interface::Match_Constraint.

Definition at line 364 of file MoleculeDecomposition.hh.

virtual bool sgm::MC_Node::isConstraining ( const size_t nodeID ) const

inlinevirtualinherited

Checks whether or not this constraint covers the node with the given ID.

Parameters

nodeID the ID of the node of interest

Returns: true if the node is covered by the constraint; false otherwise

Implements sgm::Pattern_Interface::Match_Constraint.

Definition at line 74 of file MC_Node.hh.

virtual bool sgm::MC_Node::isValidMatch	(	const Pattern_Interface &	pattern,
		const Graph_Interface &	target,
		const Match &	match
	)		const

inlinevirtualinherited

Checks whether or not a match on a given target fulfills the additional node constraint for the pattern matching.

Parameters

pattern	the pattern graph that was matched
target	the target graph the pattern was matched on
match	the match information for the left side pattern of the pattern on the target graph

Returns: true if the match is valid; false if the constraint is violated

Implements sgm::Pattern_Interface::Match_Constraint.

Definition at line 140 of file MC_Node.hh.

virtual bool ggl::chem::MoleculeDecomposition::MC_MC_RingNode::isValidMatch	(	const sgm::Pattern_Interface &	pattern,
		const sgm::Graph_Interface &	target,
		const size_t	matchedTargetID
	)		const

inlinevirtual

Checks whether or not a match on a given target fulfills the additional node constraint for the pattern matching.

Parameters

pattern	the pattern graph that was matched
target	the target graph the pattern was matched on
matchedTargetID	the matched node index within the target graph

Returns: true if the match is valid; false if the constraint is violated

Implements sgm::MC_Node.

Definition at line 413 of file MoleculeDecomposition.hh.

virtual bool sgm::MC_Node::operator== ( const sgm::Pattern_Interface::Match_Constraint & toCompare ) const

inlinevirtualinherited

Equality comparison to another match constraint.

Parameters

toCompare the constraint to compare to

Returns: true if the constraints are equal; false otherwise

Implements sgm::Pattern_Interface::Match_Constraint.

Definition at line 154 of file MC_Node.hh.

virtual MC_Node* ggl::chem::MoleculeDecomposition::MC_MC_RingNode::remap	(	const sgm::Match &	old2newIndexMapping,
		const size_t	unmatchedIndex = `UINT_MAX`
	)

inlinevirtual

Creates a new heap object that equals the current object but uses the new indices given by old2newIndexMapping. NOTE: YOU have to delete it later on! There is no garbage collection!

Parameters

old2newIndexMapping	the index mapping to be used for the remapping
unmatchedIndex	an optional specific index that marks unmatched nodes within old2newIndexMapping. if this constrains one of these nodes, no remapping is done and NULL is returned

Returns: a new allocated object

Implements sgm::MC_Node.

Definition at line 383 of file MoleculeDecomposition.hh.

Field Documentation

size_t sgm::MC_Node::constrainedNodeID

inherited

Definition at line 45 of file MC_Node.hh.

const RingNodes* ggl::chem::MoleculeDecomposition::MC_MC_RingNode::ringNodes

the set of possible ring node ids the constrainedNodeID can be matched on

Definition at line 319 of file MoleculeDecomposition.hh.

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

src/ggl/chem/MoleculeDecomposition.hh

Public Member Functions

Data Fields

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Field Documentation