BALL  1.4.79
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BALL::MMFF94Torsion Member List

This is the complete list of members for BALL::MMFF94Torsion, including all inherited members.

AddDV3_(Vector3 &f3, const TVector3< double > d3)BALL::MMFF94Torsioninlineprotected
atom_pairwise_BALL::ScoringComponentprotected
base_function_BALL::ScoringComponentprotected
calculateHeuristic_(const Atom &aj, const Atom &ak, double &v1, double &v2, double &v3)BALL::MMFF94Torsionprotected
clear()BALL::ScoringComponentvirtual
coefficient_BALL::ScoringComponentprotected
disable()BALL::ScoringComponent
enable()BALL::ScoringComponent
energy_BALL::ForceFieldComponentprotected
force_field_BALL::ForceFieldComponentprotected
ForceFieldComponent()BALL::ForceFieldComponent
ForceFieldComponent(ForceField &force_field)BALL::ForceFieldComponent
ForceFieldComponent(const ForceFieldComponent &force_field_component)BALL::ForceFieldComponent
getCoefficient()BALL::ScoringComponent
getEnergy() const BALL::ForceFieldComponentvirtual
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
getTorsions() const BALL::MMFF94Torsioninline
getTorsionType(const vector< Atom * > &atoms) const BALL::MMFF94Torsion
getTypeName()BALL::ScoringComponent
getU_(Position e)BALL::MMFF94Torsionprotected
getV_(Position e)BALL::MMFF94Torsionprotected
gridable_BALL::ScoringComponentprotected
isAtomPairwise()BALL::ScoringComponent
isEnabled() const BALL::ForceFieldComponentinline
BALL::ScoringComponent::isEnabled()BALL::ScoringComponent
isGridable()BALL::ScoringComponent
isLigandIntraMolecular()BALL::ScoringComponent
ligand_intra_molecular_BALL::ScoringComponentprotected
mean_BALL::ScoringComponentprotected
MMFF94Torsion()BALL::MMFF94Torsion
MMFF94Torsion(ForceField &force_field)BALL::MMFF94Torsion
MMFF94Torsion(const MMFF94Torsion &MMFF94_stretch)BALL::MMFF94Torsion
parameters_BALL::MMFF94Torsionprotected
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
setScoringFunction(ScoringFunction &sf)BALL::ScoringComponent
setup()BALL::MMFF94Torsionvirtual
setupLigand()BALL::ScoringComponentvirtual
stddev_BALL::ScoringComponentprotected
torsions_BALL::MMFF94Torsionprotected
type_name_BALL::ScoringComponentprotected
update()BALL::ForceFieldComponentvirtual
BALL::ScoringComponent::update(const vector< std::pair< Atom *, Atom * > > &pair_vector)BALL::ScoringComponentvirtual
updateEnergy()BALL::MMFF94Torsionvirtual
updateForces()BALL::MMFF94Torsionvirtual
updateScore()BALL::ForceFieldComponentvirtual
~ForceFieldComponent()BALL::ForceFieldComponentvirtual
~MMFF94Torsion()BALL::MMFF94Torsionvirtual
~ScoringComponent()BALL::ScoringComponentvirtual
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