CDPL.Chem.BondDirectionMatchExpression Class Reference

Chem.BondMatchExpression implementation that constrains target bonds by their Daylight SMARTS bond direction. More...

Inheritance diagram for CDPL.Chem.BondDirectionMatchExpression:

Public Member Functions
None	__init__ (BondDirectionMatchExpression expr)
	Contructs a copy of the BondDirectionMatchExpression instance expr. More...
None	__init__ (int dir_flags, bool not_match)
	Constructs the BondDirectionMatchExpression instance for the specified matching logicand bond direction constraints. More...
BondDirectionMatchExpression	assign (BondDirectionMatchExpression expr)
	Replaces the current state with a copy of the state of the BondDirectionMatchExpression instance expr. More...
Public Member Functions inherited from CDPL.Chem.BondMatchExpression
None	__init__ ()
	Contructs 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.BondMatchExpression implementation that constrains target bonds by their Daylight SMARTS bond direction.

The expression evaluates the target bond's direction value (provided as auxiliary matching data) against the configured direction constraint flags. The matching logic (match/not-match) is configurable.

See also

[SMARTS]

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.Chem.BondDirectionMatchExpression.__init__

(

BondDirectionMatchExpression

expr

)

Contructs 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 the BondDirectionMatchExpression instance for the specified matching logicand 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 with a copy of the state of the BondDirectionMatchExpression instance expr.

Parameters

expr	The BondDirectionMatchExpression instance to copy.

Returns

self.