BALL
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BALL
HydrogenBond
BALL::HydrogenBond Member List
This is the complete list of members for
BALL::HydrogenBond
, including all inherited members.
ALL_HYDROGENS
enum value
BALL::HydrogenBond
atom_pairwise_
BALL::ScoringComponent
protected
base_function_
BALL::ScoringComponent
protected
clear
()
BALL::HydrogenBond
virtual
coefficient_
BALL::ScoringComponent
protected
disable
()
BALL::ScoringComponent
enable
()
BALL::ScoringComponent
enableChargeEvaluation
(bool b)
BALL::HydrogenBond
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
HydrogenBond
(Mode mode)
BALL::HydrogenBond
HydrogenBond
(ScoringFunction &sf, Mode mode)
BALL::HydrogenBond
HydrogenBond
(ScoringComponent &sc, Mode mode)
BALL::HydrogenBond
HydrogenBond
(const HydrogenBond &fhb)
BALL::HydrogenBond
isAtomPairwise
()
BALL::ScoringComponent
isEnabled
()
BALL::ScoringComponent
isGridable
()
BALL::ScoringComponent
isLigandIntraMolecular
()
BALL::ScoringComponent
LIGAND_HYDROGENS
enum value
BALL::HydrogenBond
ligand_intra_molecular_
BALL::ScoringComponent
protected
mean_
BALL::ScoringComponent
protected
Mode
enum name
BALL::HydrogenBond
operator=
(const HydrogenBond &fhb)
BALL::HydrogenBond
operator==
(const HydrogenBond &fhb) const
BALL::HydrogenBond
RECEPTOR_HYDROGENS
enum value
BALL::HydrogenBond
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::HydrogenBond
virtual
setupLigand
()
BALL::HydrogenBond
virtual
stddev_
BALL::ScoringComponent
protected
type_name_
BALL::ScoringComponent
protected
update
(const vector< std::pair< Atom *, Atom * > > &pair_vector)
BALL::HydrogenBond
virtual
updateScore
()
BALL::HydrogenBond
virtual
~HydrogenBond
()
BALL::HydrogenBond
virtual
~ScoringComponent
()
BALL::ScoringComponent
virtual
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