BALL
1.4.79
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BALL
MMFF94ESParameters
BALL::MMFF94ESParameters Member List
This is the complete list of members for
BALL::MMFF94ESParameters
, including all inherited members.
clear
()
BALL::MMFF94ESParameters
virtual
equiv_
BALL::MMFF94ParametersBase
protected
getIndex_
(Position at1, Position at2, Position bt) const
BALL::MMFF94ESParameters
protected
getPartialCharge
(Position at1, Position at2, Position bt) const
BALL::MMFF94ESParameters
getPBCI
(Index atom_type) const
BALL::MMFF94ESParameters
getPhi
(Index atom_type) const
BALL::MMFF94ESParameters
is_initialized_
BALL::MMFF94ParametersBase
protected
isInitialized
()
BALL::MMFF94ParametersBase
inline
MMFF94ESParameters
()
BALL::MMFF94ESParameters
MMFF94ParametersBase
()
BALL::MMFF94ParametersBase
number_expected_fields_
BALL::MMFF94ParametersBase
protected
operator=
(const MMFF94ESParameters ¶m)
BALL::MMFF94ESParameters
BALL::MMFF94ParametersBase::operator=
(const MMFF94ParametersBase &)
BALL::MMFF94ParametersBase
inline
parameters_
BALL::MMFF94ESParameters
protected
pbcis_
BALL::MMFF94ESParameters
protected
phis_
BALL::MMFF94ESParameters
protected
readEmpiricalParameters
(Parameters &p, const String §ion)
BALL::MMFF94ESParameters
readParameters
(Parameters &p, const String §ion)
BALL::MMFF94ParametersBase
setEquivalences
(const MMFF94AtomTypeEquivalences &equi)
BALL::MMFF94ParametersBase
inline
setup_
(const std::vector< std::vector< String > > &)
BALL::MMFF94ESParameters
protected
virtual
~MMFF94ESParameters
()
BALL::MMFF94ESParameters
virtual
~MMFF94ParametersBase
()
BALL::MMFF94ParametersBase
inline
virtual
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