CDPL.Chem.MolecularGraphComponentGroupingMatchExpression Class Reference

MolecularGraphComponentGroupingMatchExpression. More...

Inheritance diagram for CDPL.Chem.MolecularGraphComponentGroupingMatchExpression:

Public Member Functions
None	__init__ (MolecularGraphComponentGroupingMatchExpression expr)
	Initializes a copy of the MolecularGraphComponentGroupingMatchExpression instance expr. More...
None	__init__ (FragmentList comp_grouping)
	Constructs a MolecularGraphComponentGroupingMatchExpression instance for the specified component-level grouping. More...
MolecularGraphComponentGroupingMatchExpression	assign (MolecularGraphComponentGroupingMatchExpression expr)
	Replaces the current state of self with a copy of the state of the MolecularGraphComponentGroupingMatchExpression instance expr. More...
Public Member Functions inherited from CDPL.Chem.MolecularGraphMatchExpression
None	__init__ ()
	Initializes the MolecularGraphMatchExpression 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__ (MolecularGraph query_molgraph, MolecularGraph target_molgraph, Base.Any aux_data)
	Performs an evaluation of the expression for the given query and target molecular graphs. More...
bool	__call__ (MolecularGraph query_molgraph, MolecularGraph target_molgraph, AtomBondMapping mapping, Base.Any aux_data)
	Performs an evaluation of the expression for the given query and target molecular graphs under consideration of the provided candidate atom/bond mapping. More...

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

Detailed Description

MolecularGraphComponentGroupingMatchExpression.

See also

[SMARTS]

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.Chem.MolecularGraphComponentGroupingMatchExpression.__init__

(

MolecularGraphComponentGroupingMatchExpression

expr

)

Initializes a copy of the MolecularGraphComponentGroupingMatchExpression instance expr.

Parameters

expr	The MolecularGraphComponentGroupingMatchExpression instance to copy.

__init__() [2/2]

None CDPL.Chem.MolecularGraphComponentGroupingMatchExpression.__init__

(

FragmentList

comp_grouping

)

Constructs a MolecularGraphComponentGroupingMatchExpression instance for the specified component-level grouping.

Parameters

comp_grouping

Specifies the component-level grouping constraints that have to be fulfilled by matching target molecuar graphs.

Member Function Documentation

assign()

MolecularGraphComponentGroupingMatchExpression CDPL.Chem.MolecularGraphComponentGroupingMatchExpression.assign

(

MolecularGraphComponentGroupingMatchExpression

expr

)

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

Parameters

expr	The MolecularGraphComponentGroupingMatchExpression instance to copy.

Returns

self