BALL
1.4.79
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BALL
PolarSolvation
BALL::PolarSolvation Member List
This is the complete list of members for
BALL::PolarSolvation
, including all inherited members.
atom_pairwise_
BALL::ScoringComponent
protected
AVERAGING__NONE
enum value
BALL::PolarSolvation
AVERAGING__RANDOM
enum value
BALL::PolarSolvation
AVERAGING__RANDOM_FACTOR
enum value
BALL::PolarSolvation
AVERAGING__STATIC
enum value
BALL::PolarSolvation
AveragingMethod
enum name
BALL::PolarSolvation
base_function_
BALL::ScoringComponent
protected
CALCULATION__COULOMB
enum value
BALL::PolarSolvation
CALCULATION__EEF1
enum value
BALL::PolarSolvation
CALCULATION__FRESNO
enum value
BALL::PolarSolvation
CALCULATION__FULL_CYCLE
enum value
BALL::PolarSolvation
CALCULATION__FULL_CYCLE_FOCUSED
enum value
BALL::PolarSolvation
CALCULATION__FULL_SLICK
enum value
BALL::PolarSolvation
CalculationMethod
enum name
BALL::PolarSolvation
clear
()
BALL::PolarSolvation
virtual
coefficient_
BALL::ScoringComponent
protected
disable
()
BALL::ScoringComponent
enable
()
BALL::ScoringComponent
enabled_
BALL::ScoringComponent
protected
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
operator=
(const PolarSolvation &fr)
BALL::PolarSolvation
operator==
(const PolarSolvation &fr) const
BALL::PolarSolvation
PolarSolvation
()
BALL::PolarSolvation
PolarSolvation
(ScoringFunction &sf)
BALL::PolarSolvation
PolarSolvation
(const PolarSolvation &fhb)
BALL::PolarSolvation
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::PolarSolvation
virtual
setupLigand
()
BALL::ScoringComponent
virtual
stddev_
BALL::ScoringComponent
protected
type_name_
BALL::ScoringComponent
protected
update
(const vector< std::pair< Atom *, Atom * > > &pair_vector)
BALL::PolarSolvation
virtual
updateScore
()
BALL::PolarSolvation
virtual
~PolarSolvation
()
BALL::PolarSolvation
virtual
~ScoringComponent
()
BALL::ScoringComponent
virtual
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