BALL
1.4.79
BALL
AmberNonBonded
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::ScoringComponent
protected
base_function_
BALL::ScoringComponent
protected
buildVectorOfNonBondedAtomPairs
(const std::vector< std::pair< Atom *, Atom *> > &atom_vector, const LennardJones &lennard_jones, const Potential1210 &hydrogen_bond)
BALL::AmberNonBonded
virtual
clear
()
BALL::AmberNonBonded
virtual
coefficient_
BALL::ScoringComponent
protected
determineMethodOfAtomPairGeneration
()
BALL::AmberNonBonded
virtual
disable
()
BALL::ScoringComponent
electrostatic_energy_
BALL::AmberNonBonded
protected
ELECTROSTATIC_FACTOR
BALL::AmberNonBonded
static
enable
()
BALL::ScoringComponent
enableStoreInteractions
(bool b=true)
BALL::AmberNonBonded
energy_
BALL::ForceFieldComponent
protected
force_field_
BALL::ForceFieldComponent
protected
ForceFieldComponent
()
BALL::ForceFieldComponent
ForceFieldComponent
(ForceField &force_field)
BALL::ForceFieldComponent
ForceFieldComponent
(const ForceFieldComponent &force_field_component)
BALL::ForceFieldComponent
getCoefficient
()
BALL::ScoringComponent
getElectrostaticEnergy
() const
BALL::AmberNonBonded
virtual
getEnergy
() const
BALL::ForceFieldComponent
virtual
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::AmberNonBonded
virtual
gridable_
BALL::ScoringComponent
protected
isAtomPairwise
()
BALL::ScoringComponent
isEnabled
() const
BALL::ForceFieldComponent
inline
BALL::ScoringComponent::isEnabled
()
BALL::ScoringComponent
isGridable
()
BALL::ScoringComponent
isLigandIntraMolecular
()
BALL::ScoringComponent
ligand_intra_molecular_
BALL::ScoringComponent
protected
mean_
BALL::ScoringComponent
protected
operator=
(const AmberNonBonded &anb)
BALL::AmberNonBonded
operator==
(const AmberNonBonded &anb)
BALL::AmberNonBonded
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
setAdvancedElectrostatic
(AdvancedElectrostatic *advES)
BALL::AmberNonBonded
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
setScoringFunction
(ScoringFunction &sf)
BALL::ScoringComponent
setup
()
BALL::AmberNonBonded
virtual
setup
(Options &options, ForceFieldParameters &par)
BALL::AmberNonBonded
setupLigand
()
BALL::ScoringComponent
virtual
stddev_
BALL::ScoringComponent
protected
type_name_
BALL::ScoringComponent
protected
update
()
BALL::AmberNonBonded
virtual
update
(const std::vector< std::pair< Atom *, Atom *> > &atom_vector)
BALL::AmberNonBonded
virtual
updateEnergy
()
BALL::AmberNonBonded
virtual
updateForces
()
BALL::AmberNonBonded
virtual
updateScore
()
BALL::ForceFieldComponent
virtual
vdw_energy_
BALL::AmberNonBonded
protected
~AmberNonBonded
()
BALL::AmberNonBonded
virtual
~ForceFieldComponent
()
BALL::ForceFieldComponent
virtual
~ScoringComponent
()
BALL::ScoringComponent
virtual
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