Chemical Data Processing Library Python API - Version 1.2.0
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BondSubstituentDirectionMatchExpression. More...
Public Member Functions | |
None | __init__ () |
Initializes the BondSubstituentDirectionMatchExpression instance. | |
None | __init__ (BondSubstituentDirectionMatchExpression expr) |
Initializes a copy of the BondSubstituentDirectionMatchExpression instance expr. More... | |
BondSubstituentDirectionMatchExpression | assign (BondSubstituentDirectionMatchExpression expr) |
Replaces the current state of self with a copy of the state of the BondSubstituentDirectionMatchExpression instance expr. More... | |
Public Member Functions inherited from CDPL.Chem.BondMatchExpression | |
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) | |
BondSubstituentDirectionMatchExpression.
Daylight SMARTS [SMARTS] substructure search patterns specify cis/trans geometry constraints for a double bond by indicating the relative direction of the bonds to its substituent atoms.
None CDPL.Chem.BondSubstituentDirectionMatchExpression.__init__ | ( | BondSubstituentDirectionMatchExpression | expr | ) |
Initializes a copy of the BondSubstituentDirectionMatchExpression instance expr.
expr | The BondSubstituentDirectionMatchExpression instance to copy. |
BondSubstituentDirectionMatchExpression CDPL.Chem.BondSubstituentDirectionMatchExpression.assign | ( | BondSubstituentDirectionMatchExpression | expr | ) |
Replaces the current state of self with a copy of the state of the BondSubstituentDirectionMatchExpression instance expr.
expr | The BondSubstituentDirectionMatchExpression instance to copy. |