A generic boolean expression interface for the implementation of query/target object equivalence tests in molecular graph matching algorithms. More...

#include <MatchExpression.hpp>

Inheritance diagram for CDPL::Chem::MatchExpression< ObjType1, ObjType2 >:

Public Types
typedef std::shared_ptr< MatchExpression >	SharedPointer
	A reference-counted smart pointer [SHPTR] for dynamically allocated `MatchExpression` instances. More...

Public Member Functions
virtual	~MatchExpression ()
	Virtual Destructor. More...

virtual bool	operator() (const ObjType1 &query_obj1, const ObjType2 &query_obj2, const ObjType1 &target_obj1, const ObjType2 &target_obj2, const Base::Any &aux_data) const
	Performs an evaluation of the expression for the given query and target objects. More...

virtual bool	operator() (const ObjType1 &query_obj1, const ObjType2 &query_obj2, const ObjType1 &target_obj1, const ObjType2 &target_obj2, const AtomBondMapping &mapping, const Base::Any &aux_data) const
	Performs an evaluation of the expression for the given query and target objects under consideration of the provided candidate atom/bond mapping. More...

virtual bool	requiresAtomBondMapping () const
	Tells whether the expression must be reevaluated after a query to target atom/bond mapping candidate has been found. More...

Detailed Description

template<typename ObjType1, typename ObjType2 = void>
class CDPL::Chem::MatchExpression< ObjType1, ObjType2 >

A generic boolean expression interface for the implementation of query/target object equivalence tests in molecular graph matching algorithms.

The MatchExpression interface abstracts the task of checking a set of constraints on the attributes of target objects when performing query object equivalence tests in molecular graph matching procedures. Subclasses of MatchExpression must override one (or all, if required) of the provided function call operators to implement the logic of the constraint checks. The first form of the two operators gets called in the pre-mapping stage of the graph matching algorithm where all feasible query/target object pairings are determined. In this pre-mapping stage all sorts of query constraints can be checked that are invariant with respect to the final mapping between any of the other query and target objects. The second type of operator is invoked immediately after a complete graph mapping solution has been found and can be used to re-evaluate the validity of a given query/target object pairing in the context of the provided matching result. As soon as a pairing is found to be invalid, the current mapping solution is rejected and the algorithm proceeds to find the next possible query to target graph mapping (if any). For efficiency reasons, subclasses of MatchExpression which implement the post-mapping function call operator must explicitly enable its invocation by additionally overriding the MatchExpression::requiresAtomBondMapping() method. Its implementation simply has to return true (the default implementation returns false) to request the invocation of the operator.

Template Parameters

ObjType1	The type of the primary query/target objects for which the expression gets evaluated.
ObjType2	The type of secondary query/target objects which provide auxiliary information for expression evaluation.

Member Typedef Documentation

◆ SharedPointer

template<typename ObjType1 , typename ObjType2 = void>

typedef std::shared_ptr<MatchExpression> CDPL::Chem::MatchExpression< ObjType1, ObjType2 >::SharedPointer

A reference-counted smart pointer [SHPTR] for dynamically allocated MatchExpression instances.

Constructor & Destructor Documentation

◆ ~MatchExpression()

template<typename ObjType1 , typename ObjType2 = void>

virtual CDPL::Chem::MatchExpression< ObjType1, ObjType2 >::~MatchExpression ( )

inlinevirtual

Virtual Destructor.

Member Function Documentation

◆ operator()() [1/2]

template<typename ObjType1 , typename ObjType2 >

bool CDPL::Chem::MatchExpression< ObjType1, ObjType2 >::operator()	(	const ObjType1 &	query_obj1,
		const ObjType2 &	query_obj2,
		const ObjType1 &	target_obj1,
		const ObjType2 &	target_obj2,
		const Base::Any &	aux_data
	)		const

virtual

Performs an evaluation of the expression for the given query and target objects.

Parameters

query_obj1	The primary query object.
query_obj2	The secondary query object.
target_obj1	The primary target object.
target_obj2	The secondary target object.
aux_data	Provides auxiliary information for the evaluation of the expression.

Returns: The result of the expression evaluation for the specified query and target objects.

Note: The default implementation returns true.

Reimplemented in CDPL::Chem::PropertyMatchExpression< ValueType, MatchFunc, ObjType1, ObjType2 >, CDPL::Chem::ORMatchExpressionList< ObjType1, ObjType2 >, CDPL::Chem::NOTMatchExpression< ObjType1, ObjType2 >, and CDPL::Chem::ANDMatchExpressionList< ObjType1, ObjType2 >.

◆ operator()() [2/2]

template<typename ObjType1 , typename ObjType2 >

bool CDPL::Chem::MatchExpression< ObjType1, ObjType2 >::operator()	(	const ObjType1 &	query_obj1,
		const ObjType2 &	query_obj2,
		const ObjType1 &	target_obj1,
		const ObjType2 &	target_obj2,
		const AtomBondMapping &	mapping,
		const Base::Any &	aux_data
	)		const

virtual

Performs an evaluation of the expression for the given query and target objects under consideration of the provided candidate atom/bond mapping.

Parameters

query_obj1	The primary query object.
query_obj2	The secondary query object.
target_obj1	The primary target object.
target_obj2	The secondary target object.
mapping	The current query to target atom/bond mapping candidate to evaluate.
aux_data	Provides auxiliary information for the evaluation of the expression.

Returns: The result of the expression evaluation for the specified query and target objects.

Note: The default implementation returns the result of operator()(query_obj1, query_obj2, target_obj1, target_obj2, aux_data).

Reimplemented in CDPL::Chem::ORMatchExpressionList< ObjType1, ObjType2 >, CDPL::Chem::NOTMatchExpression< ObjType1, ObjType2 >, and CDPL::Chem::ANDMatchExpressionList< ObjType1, ObjType2 >.

◆ requiresAtomBondMapping()

template<typename ObjType1 >

bool CDPL::Chem::MatchExpression< ObjType1 >::requiresAtomBondMapping

virtual

Tells whether the expression must be reevaluated after a query to target atom/bond mapping candidate has been found.

Returns: true if the expression needs to be evaluated again after a query to target atom/bond mapping candidate has been found, and false otherwise.

Note: The default implementation returns false.

Reimplemented in CDPL::Chem::MatchExpressionList< ObjType1, void >.

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

MatchExpression.hpp

Public Types

Public Member Functions

Detailed Description

template<typename ObjType1, typename ObjType2 = void> class CDPL::Chem::MatchExpression< ObjType1, ObjType2 >

Member Typedef Documentation

◆ SharedPointer

Constructor & Destructor Documentation

◆ ~MatchExpression()

Member Function Documentation

◆ operator()() [1/2]

◆ operator()() [2/2]

◆ requiresAtomBondMapping()

template<typename ObjType1, typename ObjType2 = void>
class CDPL::Chem::MatchExpression< ObjType1, ObjType2 >