BALL
1.4.79
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BALL
VanDerWaals
BALL::VanDerWaals Member List
This is the complete list of members for
BALL::VanDerWaals
, including all inherited members.
atom_pairwise_
BALL::ScoringComponent
protected
base_function_
BALL::ScoringComponent
protected
clear
()
BALL::ScoringComponent
virtual
coefficient_
BALL::ScoringComponent
protected
disable
()
BALL::ScoringComponent
enable
()
BALL::ScoringComponent
enabled_
BALL::ScoringComponent
protected
getAmberNonBonded
()
BALL::VanDerWaals
getCoefficient
()
BALL::ScoringComponent
getName
() const
BALL::ScoringComponent
getNormalizationParameters
(double &stddev, double &mean)
BALL::ScoringComponent
getRawScore
() const
BALL::ScoringComponent
getScaledScore
() const
BALL::ScoringComponent
getScoringFunction
() const
BALL::ScoringComponent
getTypeName
()
BALL::ScoringComponent
gridable_
BALL::ScoringComponent
protected
isAtomPairwise
()
BALL::ScoringComponent
isEnabled
()
BALL::ScoringComponent
isGridable
()
BALL::ScoringComponent
isLigandIntraMolecular
()
BALL::ScoringComponent
ligand_intra_molecular_
BALL::ScoringComponent
protected
mean_
BALL::ScoringComponent
protected
scaleScore
(double score) const
BALL::ScoringComponent
protected
score_
BALL::ScoringComponent
protected
scoring_function_
BALL::ScoringComponent
protected
ScoringComponent
()
BALL::ScoringComponent
ScoringComponent
(const ScoringComponent &sc)
BALL::ScoringComponent
ScoringComponent
(ScoringFunction &sf)
BALL::ScoringComponent
selectBaseFunction
(String function)
BALL::ScoringComponent
setCoefficient
(const double &coeff)
BALL::ScoringComponent
setLigandIntraMolecular
(bool b)
BALL::ScoringComponent
virtual
setName
(const String &name)
BALL::ScoringComponent
setNormalizationParameters
(double stddev, double mean)
BALL::ScoringComponent
setScoringFunction
(ScoringFunction &sf)
BALL::ScoringComponent
setup
()
BALL::ScoringComponent
virtual
setupLigand
()
BALL::ScoringComponent
virtual
stddev_
BALL::ScoringComponent
protected
type_name_
BALL::ScoringComponent
protected
update
(const vector< std::pair< Atom *, Atom * > > &pair_vector)
BALL::VanDerWaals
virtual
updateScore
()
BALL::VanDerWaals
virtual
VanDerWaals
(Options &options, ForceFieldParameters &forcefield_parameters)
BALL::VanDerWaals
VanDerWaals
(Electrostatic *es)
BALL::VanDerWaals
~ScoringComponent
()
BALL::ScoringComponent
virtual
~VanDerWaals
()
BALL::VanDerWaals
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