assignParameters(Position stretch_bend_type, const Atom &atom1, const Atom &atom2, const Atom &atom3, double &kba_ijk, double &kba_kji) const | BALL::MMFF94StretchBendParameters | |
buffered_parameters_ | BALL::MMFF94StretchBendParameters | mutableprotected |
clear() | BALL::MMFF94StretchBendParameters | virtual |
equiv_ | BALL::MMFF94ParametersBase | protected |
getIndex_(Position stretch_bend_type, Position atom_type1, Position atom_type2, Position atom_type3) const | BALL::MMFF94StretchBendParameters | protected |
getIndexByRow_(Position r1, Position r2, Position r3) const | BALL::MMFF94StretchBendParameters | protected |
is_initialized_ | BALL::MMFF94ParametersBase | protected |
isInitialized() | BALL::MMFF94ParametersBase | inline |
MMFF94ParametersBase() | BALL::MMFF94ParametersBase | |
MMFF94StretchBendParameters() | BALL::MMFF94StretchBendParameters | |
number_expected_fields_ | BALL::MMFF94ParametersBase | protected |
operator=(const MMFF94StretchBendParameters ¶m) | BALL::MMFF94StretchBendParameters | |
BALL::MMFF94ParametersBase::operator=(const MMFF94ParametersBase &) | BALL::MMFF94ParametersBase | inline |
parameters_ | BALL::MMFF94StretchBendParameters | protected |
parameters_by_row_ | BALL::MMFF94StretchBendParameters | protected |
readEmpiricalParameters(Parameters &p, const String §ion) | BALL::MMFF94StretchBendParameters | |
readParameters(Parameters &p, const String §ion) | BALL::MMFF94ParametersBase | |
setEquivalences(const MMFF94AtomTypeEquivalences &equi) | BALL::MMFF94ParametersBase | inline |
setup_(const std::vector< std::vector< String > > &) | BALL::MMFF94StretchBendParameters | protectedvirtual |
StretchBendMap typedef | BALL::MMFF94StretchBendParameters | |
~MMFF94ParametersBase() | BALL::MMFF94ParametersBase | inlinevirtual |
~MMFF94StretchBendParameters() | BALL::MMFF94StretchBendParameters | virtual |