BALL  1.4.79
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BALL::CharmmNonBonded Member List

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

atom_pairwise_BALL::ScoringComponentprotected
base_function_BALL::ScoringComponentprotected
buildVectorOfNonBondedAtomPairs(const std::vector< std::pair< Atom *, Atom * > > &atom_vector)BALL::CharmmNonBondedvirtual
CharmmNonBonded()BALL::CharmmNonBonded
CharmmNonBonded(ForceField &force_field)BALL::CharmmNonBonded
CharmmNonBonded(const CharmmNonBonded &charmm_non_bonded)BALL::CharmmNonBonded
clear()BALL::CharmmNonBondedvirtual
coefficient_BALL::ScoringComponentprotected
determineMethodOfAtomPairGeneration()BALL::CharmmNonBondedvirtual
disable()BALL::ScoringComponent
electrostatic_energy_BALL::CharmmNonBondedprotected
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
getElectrostaticEnergy() const BALL::CharmmNonBondedvirtual
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
getSolvationEnergy() const BALL::CharmmNonBondedvirtual
getTypeName()BALL::ScoringComponent
getVdwEnergy() const BALL::CharmmNonBondedvirtual
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
operator=(const CharmmNonBonded &charmm_non_bonded)BALL::CharmmNonBonded
operator==(const CharmmNonBonded &charmm_non_bonded)BALL::CharmmNonBonded
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::CharmmNonBondedvirtual
setupLigand()BALL::ScoringComponentvirtual
solvation_energy_BALL::CharmmNonBondedprotected
stddev_BALL::ScoringComponentprotected
type_name_BALL::ScoringComponentprotected
update()BALL::ForceFieldComponentvirtual
BALL::ScoringComponent::update(const vector< std::pair< Atom *, Atom * > > &pair_vector)BALL::ScoringComponentvirtual
updateEnergy()BALL::CharmmNonBondedvirtual
updateForces()BALL::CharmmNonBondedvirtual
updateScore()BALL::ForceFieldComponentvirtual
vdw_energy_BALL::CharmmNonBondedprotected
~CharmmNonBonded()BALL::CharmmNonBondedvirtual
~ForceFieldComponent()BALL::ForceFieldComponentvirtual
~ScoringComponent()BALL::ScoringComponentvirtual
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