BALL  1.4.79
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Properties Friends Macros Groups Pages
BALL::AmberNonBonded Member List

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

AmberNonBonded()BALL::AmberNonBonded
AmberNonBonded(ForceField &force_field)BALL::AmberNonBonded
AmberNonBonded(const AmberNonBonded &amber_non_bonded)BALL::AmberNonBonded
atom_pairwise_BALL::ScoringComponentprotected
base_function_BALL::ScoringComponentprotected
buildVectorOfNonBondedAtomPairs(const std::vector< std::pair< Atom *, Atom * > > &atom_vector, const LennardJones &lennard_jones, const Potential1210 &hydrogen_bond)BALL::AmberNonBondedvirtual
clear()BALL::AmberNonBondedvirtual
coefficient_BALL::ScoringComponentprotected
determineMethodOfAtomPairGeneration()BALL::AmberNonBondedvirtual
disable()BALL::ScoringComponent
electrostatic_energy_BALL::AmberNonBondedprotected
ELECTROSTATIC_FACTORBALL::AmberNonBondedstatic
enable()BALL::ScoringComponent
enableStoreInteractions(bool b=true)BALL::AmberNonBonded
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::AmberNonBondedvirtual
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
getTypeName()BALL::ScoringComponent
getVdwEnergy() const BALL::AmberNonBondedvirtual
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 AmberNonBonded &anb)BALL::AmberNonBonded
operator==(const AmberNonBonded &anb)BALL::AmberNonBonded
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
setAdvancedElectrostatic(AdvancedElectrostatic *advES)BALL::AmberNonBonded
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::AmberNonBondedvirtual
setup(Options &options, ForceFieldParameters &par)BALL::AmberNonBonded
setupLigand()BALL::ScoringComponentvirtual
stddev_BALL::ScoringComponentprotected
type_name_BALL::ScoringComponentprotected
update()BALL::AmberNonBondedvirtual
update(const std::vector< std::pair< Atom *, Atom * > > &atom_vector)BALL::AmberNonBondedvirtual
updateEnergy()BALL::AmberNonBondedvirtual
updateForces()BALL::AmberNonBondedvirtual
updateScore()BALL::ForceFieldComponentvirtual
vdw_energy_BALL::AmberNonBondedprotected
~AmberNonBonded()BALL::AmberNonBondedvirtual
~ForceFieldComponent()BALL::ForceFieldComponentvirtual
~ScoringComponent()BALL::ScoringComponentvirtual
Generated by   doxygen 1.8.7