Chemical Data Processing Library C++ API - Version 1.1.1
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#include <MMFF94SymbolicAtomTypePatternTable.hpp>
Public Member Functions | |
Entry (const Chem::MolecularGraph::SharedPointer &ptn, const std::string &sym_type, bool fallback) | |
bool | isFallbackType () const |
const Chem::MolecularGraph::SharedPointer & | getPattern () const |
const std::string & | getSymbolicType () const |
CDPL::ForceField::MMFF94SymbolicAtomTypePatternTable::Entry::Entry | ( | const Chem::MolecularGraph::SharedPointer & | ptn, |
const std::string & | sym_type, | ||
bool | fallback | ||
) |
bool CDPL::ForceField::MMFF94SymbolicAtomTypePatternTable::Entry::isFallbackType | ( | ) | const |
const Chem::MolecularGraph::SharedPointer& CDPL::ForceField::MMFF94SymbolicAtomTypePatternTable::Entry::getPattern | ( | ) | const |
const std::string& CDPL::ForceField::MMFF94SymbolicAtomTypePatternTable::Entry::getSymbolicType | ( | ) | const |