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Chemical Data Processing Library Python API - Version 1.1.1
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Chemical Data Processing Library Python API - Version 1.1.1
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BRICSFragmentGenerator. More...
Inheritance diagram for CDPL.Chem.BRICSFragmentGenerator:Public Member Functions | |
| None | __init__ () |
Constructs the BRICSFragmentGenerator instance. | |
| None | __init__ (BRICSFragmentGenerator gen) |
| Initializes a copy of the BRICSFragmentGenerator instance gen. More... | |
| BRICSFragmentGenerator | assign (BRICSFragmentGenerator gen) |
| Replaces the current state of self with a copy of the state of the BRICSFragmentGenerator instance gen. More... | |
| Public Member Functions inherited from CDPL.Chem.FragmentGenerator | |
| None | __init__ (FragmentGenerator gen) |
| Initializes a copy of the FragmentGenerator instance gen. More... | |
| int | getObjectID () |
| Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
| FragmentGenerator | assign (FragmentGenerator gen) |
| Replaces the current state of self with a copy of the state of the FragmentGenerator instance gen. More... | |
| None | addFragmentationRule (MolecularGraph match_ptn, int rule_id) |
| None | addFragmentationRule (FragmentationRule rule) |
| None | removeFragmentationRule (int idx) |
| FragmentationRule | getFragmentationRule (int idx) |
| None | clearFragmentationRules () |
| int | getNumFragmentationRules () |
| None | addExcludePattern (MolecularGraph match_ptn, int rule_id) |
| None | addExcludePattern (ExcludePattern excl_ptn) |
| None | removeExcludePattern (int idx) |
| ExcludePattern | getExcludePattern (int idx) |
| None | clearExcludePatterns () |
| int | getNumExcludePatterns () |
| None | setFragmentFilterFunction (BoolConstMolecularGraphFunctor func) |
| BoolConstMolecularGraphFunctor | getFragmentFilterFunction () |
| None | generate (MolecularGraph molgraph, FragmentList frag_list, bool append=False) |
| FragmentLink | getFragmentLink (int idx) |
| int | getNumFragmentLinks () |
| None | includeSplitBonds (bool include) |
Additional Inherited Members | |
| Properties inherited from CDPL.Chem.FragmentGenerator | |
| objectID = property(getObjectID) | |
| fragmentFilterFunction = property(getFragmentFilterFunction, setFragmentFilterFunction) | |
| incSplitBonds = property(splitBondsIncluded, includeSplitBonds) | |
| numFragmentationRules = property(getNumFragmentationRules) | |
| numExcludePatterns = property(getNumExcludePatterns) | |
| numFragmentLinks = property(getNumFragmentLinks) | |
| None CDPL.Chem.BRICSFragmentGenerator.__init__ | ( | BRICSFragmentGenerator | gen | ) |
Initializes a copy of the BRICSFragmentGenerator instance gen.
| gen | The BRICSFragmentGenerator instance to copy. |
| BRICSFragmentGenerator CDPL.Chem.BRICSFragmentGenerator.assign | ( | BRICSFragmentGenerator | gen | ) |
Replaces the current state of self with a copy of the state of the BRICSFragmentGenerator instance gen.
| gen | The BRICSFragmentGenerator instance to copy. |
1.8.20