 |
Chemical Data Processing Library Python API - Version 1.4.0
|
|
Chemical Data Processing Library Python API - Version 1.4.0
|
Chem.TautomerizationRule implementation for the generation of tautomeric forms that result from proton migration between susceptible atoms separated by four bonds. More...
Inheritance diagram for CDPL.Chem.GenericHydrogen15ShiftTautomerization:Public Member Functions | |
| None | __init__ () |
| Constructs the rule and registers the corresponding 1,5-H-shift transformation patterns. More... | |
| None | __init__ (GenericHydrogen15ShiftTautomerization rule) |
Initializes a copy of the GenericHydrogen15ShiftTautomerization instance rule. More... | |
| Public Member Functions inherited from CDPL.Chem.PatternBasedTautomerizationRule | |
| None | __init__ (int id) |
Initializes the PatternBasedTautomerizationRule instance. More... | |
| None | __init__ (PatternBasedTautomerizationRule rule) |
Constructs a PatternBasedTautomerizationRule instance that is copy of rule. More... | |
| None | addTransformationPattern (MolecularGraph molgraph, object bond_chgs) |
| None | addExcludePattern (MolecularGraph molgraph) |
| Registers a rule exclude pattern. More... | |
| None | addExcludePatterns (PatternBasedTautomerizationRule rule) |
| Appends all registered search patterns of rule to the exclude pattern list of this rule. More... | |
| None | clearExcludePatterns () |
| Removes all registered exclude patterns. | |
| PatternBasedTautomerizationRule | assign (PatternBasedTautomerizationRule rule) |
| Replaces the state of this rule by a copy of the state of rule. More... | |
| Public Member Functions inherited from CDPL.Chem.TautomerizationRule | |
| int | getObjectID () |
| Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
| int | getID () |
| Returns the rule identifier. More... | |
| bool | setup (MolecularGraph parent_molgraph) |
| Performs rule-specific setup work for the given molecular graph that shall be tautomerized. More... | |
| bool | generate (Molecule tautomer) |
| Generates the next tautomer of the parent molecular graph and stores it in molecule. More... | |
| TautomerizationRule | clone () |
| Returns a deep copy of this rule instance. More... | |
Additional Inherited Members | |
| Properties inherited from CDPL.Chem.TautomerizationRule | |
| objectID = property(getObjectID) | |
Chem.TautomerizationRule implementation for the generation of tautomeric forms that result from proton migration between susceptible atoms separated by four bonds.
| None CDPL.Chem.GenericHydrogen15ShiftTautomerization.__init__ | ( | ) |
Constructs the rule and registers the corresponding 1,5-H-shift transformation patterns.
Numeric rule ID: Chem.TautomerizationType.GENERIC_H_15_SHIFT.
Reimplemented from CDPL.Chem.TautomerizationRule.
| None CDPL.Chem.GenericHydrogen15ShiftTautomerization.__init__ | ( | GenericHydrogen15ShiftTautomerization | rule | ) |
Initializes a copy of the GenericHydrogen15ShiftTautomerization instance rule.
| rule | The GenericHydrogen15ShiftTautomerization instance to copy. |
1.9.1