Chemical Data Processing Library Python API - Version 1.1.1
Public Member Functions | List of all members
CDPL.Chem.AtomTypeMatchExpression Class Reference

AtomTypeMatchExpression. More...

+ Inheritance diagram for CDPL.Chem.AtomTypeMatchExpression:

Public Member Functions

None __init__ (AtomTypeMatchExpression expr)
 Initializes a copy of the AtomTypeMatchExpression instance expr. More...
 
None __init__ (int atom_type, bool not_match)
 Constructs an AtomTypeMatchExpression instance for the specified query atom type and matching mode. More...
 
AtomTypeMatchExpression assign (AtomTypeMatchExpression expr)
 Replaces the current state of self with a copy of the state of the AtomTypeMatchExpression instance expr. More...
 
- Public Member Functions inherited from CDPL.Chem.AtomMatchExpression
None __init__ ()
 Initializes the AtomMatchExpression 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__ (Atom query_atom, MolecularGraph query_molgraph, Atom target_atom, MolecularGraph target_molgraph, Base.Any aux_data)
 Performs an evaluation of the expression for the given query and target objects. More...
 
bool __call__ (Atom query_atom, MolecularGraph query_molgraph, Atom target_atom, 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.AtomMatchExpression
 objectID = property(getObjectID)
 

Detailed Description

AtomTypeMatchExpression.

Constructor & Destructor Documentation

◆ __init__() [1/2]

None CDPL.Chem.AtomTypeMatchExpression.__init__ ( AtomTypeMatchExpression  expr)

Initializes a copy of the AtomTypeMatchExpression instance expr.

Parameters
exprThe AtomTypeMatchExpression instance to copy.

◆ __init__() [2/2]

None CDPL.Chem.AtomTypeMatchExpression.__init__ ( int  atom_type,
bool  not_match 
)

Constructs an AtomTypeMatchExpression instance for the specified query atom type and matching mode.

Parameters
atom_typeThe atom type that has to be matched (or not matched) by target atoms.
not_matchSpecifies whether the type of a target atom actually has to match (True) or not match (False) the query atom type.

Member Function Documentation

◆ assign()

AtomTypeMatchExpression CDPL.Chem.AtomTypeMatchExpression.assign ( AtomTypeMatchExpression  expr)

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

Parameters
exprThe AtomTypeMatchExpression instance to copy.
Returns
self