BALL  1.4.79
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BALL::PLP Member List

This is the complete list of members for BALL::PLP, including all inherited members.

atom_pairwise_BALL::ScoringComponentprotected
base_function_BALL::ScoringComponentprotected
clear()BALL::PLPvirtual
coefficient_BALL::ScoringComponentprotected
disable()BALL::ScoringComponent
enable()BALL::ScoringComponent
energy_BALL::ForceFieldComponentprotected
es_energy_BALL::PLPprotected
force_field_BALL::ForceFieldComponentprotected
ForceFieldComponent()BALL::ForceFieldComponent
ForceFieldComponent(ForceField &force_field)BALL::ForceFieldComponent
ForceFieldComponent(const ForceFieldComponent &force_field_component)BALL::ForceFieldComponent
getAtomType(const Atom *atom)BALL::PLPstatic
getCoefficient()BALL::ScoringComponent
getEnergy() const BALL::ForceFieldComponentvirtual
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::ScoringComponentprotected
isAtomPairwise()BALL::ScoringComponent
isEnabled() const BALL::ForceFieldComponentinline
BALL::ScoringComponent::isEnabled()BALL::ScoringComponent
isGridable()BALL::ScoringComponent
isLigandIntraMolecular()BALL::ScoringComponent
isNSp3(const Atom *at)BALL::PLPprotectedstatic
isSp3(const Atom *at)BALL::PLPprotectedstatic
ligand_intra_molecular_BALL::ScoringComponentprotected
mean_BALL::ScoringComponentprotected
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::ScoringComponentprotected
score_BALL::ScoringComponentprotected
scoring_function_BALL::ScoringComponentprotected
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::ForceFieldComponentinline
setForceField(ForceField &force_field)BALL::ForceFieldComponent
setLigandIntraMolecular(bool b)BALL::ScoringComponentvirtual
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::ForceFieldComponentvirtual
setupLigand()BALL::ScoringComponentvirtual
stddev_BALL::ScoringComponentprotected
type_name_BALL::ScoringComponentprotected
update(const std::vector< std::pair< Atom *, Atom * > > &atom_vector)BALL::PLPvirtual
update()BALL::PLPvirtual
updateEnergy()BALL::PLPvirtual
updateForces()BALL::PLPvirtual
updateScore()BALL::ForceFieldComponentvirtual
vdw_energy_BALL::PLPprotected
~ForceFieldComponent()BALL::ForceFieldComponentvirtual
~PLP()BALL::PLPvirtual
~ScoringComponent()BALL::ScoringComponentvirtual
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