Chemical Data Processing Library C++ API - Version 1.1.1
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LactamLactimTautomerizationRule. More...
#include <LactamLactimTautomerization.hpp>
Public Member Functions | |
LactamLactimTautomerization () | |
Public Member Functions inherited from CDPL::Chem::PatternBasedTautomerizationRule | |
PatternBasedTautomerizationRule (unsigned int rule_id) | |
PatternBasedTautomerizationRule (const PatternBasedTautomerizationRule &rule) | |
PatternBasedTautomerizationRule & | operator= (const PatternBasedTautomerizationRule &rule) |
template<typename Iter > | |
void | addTransformationPattern (const MolecularGraph::SharedPointer &pattern, Iter bond_chgs_beg, Iter bond_chgs_end) |
void | addExcludePattern (const MolecularGraph::SharedPointer &pattern) |
void | addExcludePatterns (const PatternBasedTautomerizationRule &rule) |
void | clearExcludePatterns () |
bool | setup (MolecularGraph &parent_molgraph) |
unsigned int | getID () const |
bool | generate (Molecule &tautomer) |
Generates the next tautomer. More... | |
TautomerizationRule::SharedPointer | clone () const |
Public Member Functions inherited from CDPL::Chem::TautomerizationRule | |
virtual | ~TautomerizationRule () |
Additional Inherited Members | |
Public Types inherited from CDPL::Chem::PatternBasedTautomerizationRule | |
typedef std::shared_ptr< PatternBasedTautomerizationRule > | SharedPointer |
Public Types inherited from CDPL::Chem::TautomerizationRule | |
typedef std::shared_ptr< TautomerizationRule > | SharedPointer |
LactamLactimTautomerizationRule.
CDPL::Chem::LactamLactimTautomerization::LactamLactimTautomerization | ( | ) |