CDPL.Chem.BondDirectionMatchExpression Class Reference

Chem.MatchExpression that constrains target bonds by their SMILES/SMARTS bond direction. More...

Inheritance diagram for CDPL.Chem.BondDirectionMatchExpression:

Public Member Functions
None	__init__ (BondDirectionMatchExpression expr)
	Initializes a copy of the BondDirectionMatchExpression instance expr. More...
None	__init__ (int dir_flags, bool not_match)
	Constructs an BondDirectionMatchExpression instance for the specified matching mode and bond direction constraints. More...
BondDirectionMatchExpression	assign (BondDirectionMatchExpression expr)
	Replaces the current state of self with a copy of the state of the BondDirectionMatchExpression instance expr. More...
Public Member Functions inherited from CDPL.Chem.BondMatchExpression
None	__init__ ()
	Initializes the BondMatchExpression instance.
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
bool	requiresAtomBondMapping ()
	Tells whether the expression must be reevaluated after a query to target atom/bond mapping candidate has been found. More...
bool	__call__ (Bond query_bond, MolecularGraph query_molgraph, Bond target_bond, MolecularGraph target_molgraph, Base.Any aux_data)
	Performs an evaluation of the expression for the given query and target objects. More...
bool	__call__ (Bond query_bond, MolecularGraph query_molgraph, Bond target_bond, MolecularGraph target_molgraph, AtomBondMapping mapping, Base.Any aux_data)
	Performs an evaluation of the expression for the given query and target objects under consideration of the provided candidate atom/bond mapping. More...

Additional Inherited Members
Properties inherited from CDPL.Chem.BondMatchExpression
	objectID = property(getObjectID)

Detailed Description

Chem.MatchExpression that constrains target bonds by their SMILES/SMARTS bond direction.

The expression evaluates the target bond's auxiliary direction value (one of the Chem.BondDirection flags, supplied as aux_data) against the configured direction constraint flags. The matching mode (match/not-match) is configurable.

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.Chem.BondDirectionMatchExpression.__init__

(

BondDirectionMatchExpression

expr

)

Initializes a copy of the BondDirectionMatchExpression instance expr.

Parameters

expr	The BondDirectionMatchExpression instance to copy.

__init__() [2/2]

None CDPL.Chem.BondDirectionMatchExpression.__init__	(	int	dir_flags,
		bool	not_match
	)

Constructs an BondDirectionMatchExpression instance for the specified matching mode and bond direction constraints.

Parameters

dir_flags	A bitwise OR combination of the flags defined in namespace Chem.BondDirection that specifies constraints on the direction of matching target bonds.
not_match	Specifies whether the direction of a target bond actually has to match (True) or not match (False) the query direction constraints.

Member Function Documentation

assign()

BondDirectionMatchExpression CDPL.Chem.BondDirectionMatchExpression.assign

(

BondDirectionMatchExpression

expr

)

Replaces the current state of self with a copy of the state of the BondDirectionMatchExpression instance expr.

Parameters

expr	The BondDirectionMatchExpression instance to copy.

Returns

self