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BALL::GeneralizedBornModel Member List
This is the complete list of members for
BALL::GeneralizedBornModel
, including all inherited members.
ac_
BALL::GeneralizedBornModel
[private]
atoms_
BALL::GeneralizedBornModel
[private]
born_radii_
BALL::GeneralizedBornModel
[private]
calculateBornRadii_
()
BALL::GeneralizedBornModel
[private]
calculateCreationEnergy_
() const
BALL::GeneralizedBornModel
[private]
calculateEnergy
()
BALL::GeneralizedBornModel
calculatePotential
(HashMap< const Atom *, float > &p_hash) const
BALL::GeneralizedBornModel
calculatePotential
(const Atom &atom_i) const
BALL::GeneralizedBornModel
calculateSolvationEnergy
()
BALL::GeneralizedBornModel
calculateTransferEnergy_
() const
BALL::GeneralizedBornModel
[private]
clear
()
BALL::GeneralizedBornModel
coulombIntegralApproximation_
(float distance, float scaled_radius_j, float radius_i) const
BALL::GeneralizedBornModel
[private]
dc_solute_
BALL::GeneralizedBornModel
[private]
dc_solvent_
BALL::GeneralizedBornModel
[private]
delta_
BALL::GeneralizedBornModel
[private]
f_GB_
(Size i, Size j) const
BALL::GeneralizedBornModel
[private]
GeneralizedBornModel
()
BALL::GeneralizedBornModel
getScalingFactors
() const
BALL::GeneralizedBornModel
kappa_
BALL::GeneralizedBornModel
[private]
lambda_
BALL::GeneralizedBornModel
[private]
pair_charges_
BALL::GeneralizedBornModel
[private]
pair_distances_
BALL::GeneralizedBornModel
[private]
pair_list_
BALL::GeneralizedBornModel
[private]
readScalingFactors
(const String &inifile_name)
BALL::GeneralizedBornModel
rho_0_
BALL::GeneralizedBornModel
[private]
scaling_factor_
BALL::GeneralizedBornModel
[private]
scaling_factor_filename_
BALL::GeneralizedBornModel
[private]
scaling_factors_
BALL::GeneralizedBornModel
[private]
setScalingFactorFile
(const String &filename)
BALL::GeneralizedBornModel
setScalingFactors
(const StringHashMap< float > &scaling_factors)
BALL::GeneralizedBornModel
setSoluteDC
(float solute_dc)
BALL::GeneralizedBornModel
setSolventDC
(float solvent_dc)
BALL::GeneralizedBornModel
setup
(const AtomContainer &ac)
BALL::GeneralizedBornModel
squared_distances_
BALL::GeneralizedBornModel
[private]
to_kJ_mol_
BALL::GeneralizedBornModel
[private]
~GeneralizedBornModel
()
BALL::GeneralizedBornModel
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