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BALL::PolarSolvation Member List
This is the complete list of members for
BALL::PolarSolvation
, including all inherited members.
averaging_
BALL::PolarSolvation
[private]
AVERAGING__NONE
enum value
BALL::PolarSolvation
AVERAGING__RANDOM
enum value
BALL::PolarSolvation
AVERAGING__RANDOM_FACTOR
enum value
BALL::PolarSolvation
AVERAGING__STATIC
enum value
BALL::PolarSolvation
AveragingMethod
enum name
BALL::PolarSolvation
bulk_water_dc_
BALL::PolarSolvation
[private]
calculateScore
()
BALL::PolarSolvation
[virtual]
CALCULATION__COULOMB
enum value
BALL::PolarSolvation
CALCULATION__EEF1
enum value
BALL::PolarSolvation
CALCULATION__FRESNO
enum value
BALL::PolarSolvation
CALCULATION__FULL_CYCLE
enum value
BALL::PolarSolvation
CALCULATION__FULL_CYCLE_FOCUSED
enum value
BALL::PolarSolvation
CALCULATION__FULL_SLICK
enum value
BALL::PolarSolvation
calculation_method_
BALL::PolarSolvation
[private]
CalculationMethod
enum name
BALL::PolarSolvation
clear
()
BALL::PolarSolvation
[virtual]
computeEnergyDifference_
(System &system, float &energy)
BALL::PolarSolvation
[private]
computeESEnergy_
(System &system, float &energy)
BALL::PolarSolvation
[private]
computeESInteractionEnergy_
(const Molecule &molecule, const HashMap< const Atom *, float > &p_hash)
BALL::PolarSolvation
[private]
computeFullCycle_
(System &system, Molecule &protein, Molecule &ligand, float &energy)
BALL::PolarSolvation
[private]
desolv_ligand_
BALL::PolarSolvation
[private]
desolv_protein_
BALL::PolarSolvation
[private]
fdpb_
BALL::PolarSolvation
[private]
gbm_
BALL::PolarSolvation
[private]
getName
() const
BALL::ScoringComponent
getScore
() const
BALL::ScoringComponent
[virtual]
getScoringFunction
() const
BALL::ScoringComponent
operator=
(const PolarSolvation &fr)
BALL::PolarSolvation
operator==
(const PolarSolvation &fr) const
BALL::PolarSolvation
permuteComponentSigns_
(Vector3 vector, Size permutation)
BALL::PolarSolvation
[private]
PolarSolvation
()
BALL::PolarSolvation
PolarSolvation
(ScoringFunction &sf)
BALL::PolarSolvation
PolarSolvation
(const PolarSolvation &fhb)
BALL::PolarSolvation
score_
BALL::ScoringComponent
[protected]
scoring_function_
BALL::ScoringComponent
[protected]
ScoringComponent
()
BALL::ScoringComponent
ScoringComponent
(const ScoringComponent &sc)
BALL::ScoringComponent
ScoringComponent
(ScoringFunction &sf)
BALL::ScoringComponent
setName
(const String &name)
BALL::ScoringComponent
setScoringFunction
(ScoringFunction &sf)
BALL::ScoringComponent
setup
()
BALL::PolarSolvation
[virtual]
spacing_
BALL::PolarSolvation
[private]
unite_atoms_
BALL::PolarSolvation
[private]
uniteAtoms_
(Molecule &molecule)
BALL::PolarSolvation
[private]
use_gb_
BALL::PolarSolvation
[private]
vacuum_dc_
BALL::PolarSolvation
[private]
verbosity_
BALL::PolarSolvation
[private]
~PolarSolvation
()
BALL::PolarSolvation
[virtual]
~ScoringComponent
()
BALL::ScoringComponent
[virtual]
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