PatternBasedTautomerizationRule.
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#include <PatternBasedTautomerizationRule.hpp>
◆ SharedPointer
◆ PatternBasedTautomerizationRule() [1/2]
CDPL::Chem::PatternBasedTautomerizationRule::PatternBasedTautomerizationRule |
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unsigned int |
rule_id | ) |
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◆ PatternBasedTautomerizationRule() [2/2]
◆ operator=()
◆ addTransformationPattern()
template<typename Iter >
void CDPL::Chem::PatternBasedTautomerizationRule::addTransformationPattern |
( |
const MolecularGraph::SharedPointer & |
pattern, |
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Iter |
bond_chgs_beg, |
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Iter |
bond_chgs_end |
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) |
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inline |
◆ addExcludePattern()
◆ addExcludePatterns()
◆ clearExcludePatterns()
void CDPL::Chem::PatternBasedTautomerizationRule::clearExcludePatterns |
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| ) |
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◆ setup()
bool CDPL::Chem::PatternBasedTautomerizationRule::setup |
( |
MolecularGraph & |
parent_molgraph | ) |
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virtual |
◆ getID()
unsigned int CDPL::Chem::PatternBasedTautomerizationRule::getID |
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| ) |
const |
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virtual |
◆ generate()
bool CDPL::Chem::PatternBasedTautomerizationRule::generate |
( |
Molecule & |
tautomer | ) |
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virtual |
Generates the next tautomer.
- Parameters
-
tautomer | The tautomer output molecule object. |
- Returns
true
if a tautomer was generated, false
if no more tautomers are available.
Implements CDPL::Chem::TautomerizationRule.
◆ clone()
The documentation for this class was generated from the following file: