BALL
1.5.0
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BALL
PLP
BALL::PLP Member List
This is the complete list of members for
BALL::PLP
, including all inherited members.
atom_pairwise_
BALL::ScoringComponent
protected
base_function_
BALL::ScoringComponent
protected
clear
()
BALL::PLP
virtual
coefficient_
BALL::ScoringComponent
protected
disable
()
BALL::ScoringComponent
enable
()
BALL::ScoringComponent
energy_
BALL::ForceFieldComponent
protected
es_energy_
BALL::PLP
protected
force_field_
BALL::ForceFieldComponent
protected
ForceFieldComponent
()
BALL::ForceFieldComponent
ForceFieldComponent
(ForceField &force_field)
BALL::ForceFieldComponent
ForceFieldComponent
(const ForceFieldComponent &force_field_component)
BALL::ForceFieldComponent
getAtomType
(const Atom *atom)
BALL::PLP
static
getCoefficient
()
BALL::ScoringComponent
getEnergy
() const
BALL::ForceFieldComponent
virtual
getESEnergy
() const
BALL::PLP
getForceField
() const
BALL::ForceFieldComponent
getName
() const
BALL::ForceFieldComponent
getNormalizationParameters
(double &stddev, double &mean)
BALL::ScoringComponent
getRawScore
() const
BALL::ScoringComponent
getScaledScore
() const
BALL::ScoringComponent
getScoringFunction
() const
BALL::ScoringComponent
getTypeName
()
BALL::ScoringComponent
getVDWEnergy
() const
BALL::PLP
gridable_
BALL::ScoringComponent
protected
isAtomPairwise
()
BALL::ScoringComponent
isEnabled
() const
BALL::ForceFieldComponent
inline
BALL::ScoringComponent::isEnabled
()
BALL::ScoringComponent
isGridable
()
BALL::ScoringComponent
isLigandIntraMolecular
()
BALL::ScoringComponent
isNSp3
(const Atom *at)
BALL::PLP
protected
static
isSp3
(const Atom *at)
BALL::PLP
protected
static
ligand_intra_molecular_
BALL::ScoringComponent
protected
mean_
BALL::ScoringComponent
protected
operator=
(const PLP &anb)
BALL::PLP
operator==
(const PLP &anb)
BALL::PLP
PLP
()
BALL::PLP
PLP
(ForceField &force_field)
BALL::PLP
PLP
(const PLP &MMFF94_non_bonded)
BALL::PLP
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
setEnabled
(bool state)
BALL::ForceFieldComponent
inline
setForceField
(ForceField &force_field)
BALL::ForceFieldComponent
setLigandIntraMolecular
(bool b)
BALL::ScoringComponent
virtual
setName
(const String &name)
BALL::ForceFieldComponent
setNormalizationParameters
(double stddev, double mean)
BALL::ScoringComponent
setRotatableBonds
(std::vector< Bond * > &bonds)
BALL::PLP
setScoringFunction
(ScoringFunction &sf)
BALL::ScoringComponent
setup
(Options &options)
BALL::PLP
BALL::ForceFieldComponent::setup
()
BALL::ForceFieldComponent
virtual
setupLigand
()
BALL::ScoringComponent
virtual
stddev_
BALL::ScoringComponent
protected
type_name_
BALL::ScoringComponent
protected
update
(const std::vector< std::pair< Atom *, Atom * > > &atom_vector)
BALL::PLP
virtual
update
()
BALL::PLP
virtual
updateEnergy
()
BALL::PLP
virtual
updateForces
()
BALL::PLP
virtual
updateScore
()
BALL::ForceFieldComponent
virtual
vdw_energy_
BALL::PLP
protected
~ForceFieldComponent
()
BALL::ForceFieldComponent
virtual
~PLP
()
BALL::PLP
virtual
~ScoringComponent
()
BALL::ScoringComponent
virtual
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