Chemical Data Processing Library C++ API - Version 1.1.1
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#include <TorsionRuleMatch.hpp>
Public Member Functions | |
TorsionRuleMatch (const TorsionRule &rule, const Chem::Bond &bond, const Chem::Atom *atom1, const Chem::Atom *atom2, const Chem::Atom *atom3, const Chem::Atom *atom4) | |
const Chem::Atom *const * | getAtoms () const |
const TorsionRule & | getRule () const |
const Chem::Bond & | getBond () const |
CDPL::ConfGen::TorsionRuleMatch::TorsionRuleMatch | ( | const TorsionRule & | rule, |
const Chem::Bond & | bond, | ||
const Chem::Atom * | atom1, | ||
const Chem::Atom * | atom2, | ||
const Chem::Atom * | atom3, | ||
const Chem::Atom * | atom4 | ||
) |
const Chem::Atom* const* CDPL::ConfGen::TorsionRuleMatch::getAtoms | ( | ) | const |
const TorsionRule& CDPL::ConfGen::TorsionRuleMatch::getRule | ( | ) | const |
const Chem::Bond& CDPL::ConfGen::TorsionRuleMatch::getBond | ( | ) | const |