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MMFF94StretchBendParameters Member List

This is the complete list of members for MMFF94StretchBendParameters, including all inherited members.

buffered_parameters_ (defined in MMFF94StretchBendParameters)MMFF94StretchBendParameters [mutable, protected]
clear()MMFF94StretchBendParameters [virtual]
equiv_ (defined in MMFF94ParametersBase)MMFF94ParametersBase [protected]
getIndex_(Position stretch_bend_type, Position atom_type1, Position atom_type2, Position atom_type3) const (defined in MMFF94StretchBendParameters)MMFF94StretchBendParameters [protected]
getIndexByRow_(Position r1, Position r2, Position r3) const (defined in MMFF94StretchBendParameters)MMFF94StretchBendParameters [protected]
getParameters(Position stretch_bend_type, const Atom &atom1, const Atom &atom2, const Atom &atom3, double &kba_ijk, double &kba_kji) const (defined in MMFF94StretchBendParameters)MMFF94StretchBendParameters
is_initialized_ (defined in MMFF94ParametersBase)MMFF94ParametersBase [protected]
isInitialized() (defined in MMFF94ParametersBase)MMFF94ParametersBase
MMFF94ParametersBase()MMFF94ParametersBase
MMFF94StretchBendParameters()MMFF94StretchBendParameters
number_expected_fields_ (defined in MMFF94ParametersBase)MMFF94ParametersBase [protected]
operator=(const MMFF94StretchBendParameters &param)MMFF94StretchBendParameters
MMFF94ParametersBase::operator=(const MMFF94ParametersBase &)MMFF94ParametersBase
parameters_MMFF94StretchBendParameters [protected]
parameters_by_row_ (defined in MMFF94StretchBendParameters)MMFF94StretchBendParameters [protected]
readEmpericalParameters(const String &by_row_filename)MMFF94StretchBendParameters
readParameters(const String &filename) (defined in MMFF94ParametersBase)MMFF94ParametersBase
setEquivalences(const MMFF94AtomTypeEquivalences &equi) (defined in MMFF94ParametersBase)MMFF94ParametersBase
setup_(const vector< vector< String > > &) (defined in MMFF94StretchBendParameters)MMFF94StretchBendParameters [protected, virtual]
StretchBendMap typedefMMFF94StretchBendParameters
~MMFF94ParametersBase()MMFF94ParametersBase [virtual]
~MMFF94StretchBendParameters()MMFF94StretchBendParameters [virtual]