AtomTypeMatchExpression.
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None | __init__ (AtomTypeMatchExpression expr) |
| Initializes a copy of the AtomTypeMatchExpression instance expr. More...
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None | __init__ (int atom_type, bool not_match) |
| Constructs an AtomTypeMatchExpression instance for the specified query atom type and matching mode. More...
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AtomTypeMatchExpression | assign (AtomTypeMatchExpression expr) |
| Replaces the current state of self with a copy of the state of the AtomTypeMatchExpression instance expr. More...
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None | __init__ () |
| Initializes the AtomMatchExpression instance.
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int | getObjectID () |
| Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
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bool | requiresAtomBondMapping () |
| Tells whether the expression must be reevaluated after a query to target atom/bond mapping candidate has been found. More...
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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...
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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...
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◆ __init__() [1/2]
Initializes a copy of the AtomTypeMatchExpression instance expr.
- Parameters
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expr | The AtomTypeMatchExpression instance to copy. |
◆ __init__() [2/2]
None CDPL.Chem.AtomTypeMatchExpression.__init__ |
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int |
atom_type, |
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bool |
not_match |
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Constructs an AtomTypeMatchExpression
instance for the specified query atom type and matching mode.
- Parameters
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atom_type | The atom type that has to be matched (or not matched) by target atoms. |
not_match | Specifies whether the type of a target atom actually has to match (True ) or not match (False ) the query atom type. |
◆ assign()
Replaces the current state of self with a copy of the state of the AtomTypeMatchExpression instance expr.
- Parameters
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expr | The AtomTypeMatchExpression instance to copy. |
- Returns
- self