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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::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