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Chemical Data Processing Library Python API - Version 1.2.3
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DefaultTautomerGenerator. More...
Inheritance diagram for CDPL.Chem.DefaultTautomerGenerator:Public Member Functions | |
| None | __init__ () |
Constructs the DefaultTautomerGenerator instance. | |
| None | __init__ (DefaultTautomerGenerator gen) |
| Initializes a copy of the DefaultTautomerGenerator instance gen. More... | |
Public Member Functions inherited from CDPL.Chem.TautomerGenerator | |
| None | __init__ (TautomerGenerator gen) |
| Initializes a copy of the TautomerGenerator instance gen. More... | |
| int | getObjectID () |
| Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
| None | addTautomerizationRule (TautomerizationRule rule) |
| None | removeTautomerizationRule (int idx) |
| TautomerizationRule | getTautomerizationRule (int idx) |
| int | getNumTautomerizationRules () |
| None | setCallbackFunction (BoolMolecularGraphFunctor func) |
| BoolMolecularGraphFunctor | getCallbackFunction () |
| None | setMode (Mode mode) |
| Mode | getMode () |
| None | regardStereochemistry (bool regard) |
| bool | stereochemistryRegarded () |
| None | regardIsotopes (bool regard) |
| bool | isotopesRegarded () |
| None | removeResonanceDuplicates (bool remove) |
| bool | resonanceDuplicatesRemoved () |
| None | setCustomSetupFunction (VoidMolecularGraphFunctor func) |
| None | generate (MolecularGraph molgraph) |
| Generates all unique tautomers of the molecular graph molgraph. More... | |
| TautomerGenerator | assign (TautomerGenerator gen) |
Replaces the current state of self with a copy of the state of the TautomerGenerator instance gen. More... | |
Additional Inherited Members | |
Properties inherited from CDPL.Chem.TautomerGenerator | |
| objectID = property(getObjectID) | |
| callbackFunction = property(getCallbackFunction, setCallbackFunction) | |
| mode = property(getMode, setMode) | |
| regStereo = property(stereochemistryRegarded, regardStereochemistry) | |
| regIsotopes = property(isotopesRegarded, regardIsotopes) | |
| remResonanceDuplicates = property(resonanceDuplicatesRemoved, removeResonanceDuplicates) | |
| numTautomerizationRules = property(getNumTautomerizationRules) | |
| None CDPL.Chem.DefaultTautomerGenerator.__init__ | ( | DefaultTautomerGenerator | gen | ) |
Initializes a copy of the DefaultTautomerGenerator instance gen.
| gen | The DefaultTautomerGenerator instance to copy. |