ALGORITHM__DATABASE enum value | BALL::RotationalEntropyLoss | |
ALGORITHM__GUESS enum value | BALL::RotationalEntropyLoss | |
algorithm_type_ | BALL::RotationalEntropyLoss | private |
AlgorithmType enum name | BALL::RotationalEntropyLoss | |
bind_distance_offset_ | BALL::RotationalEntropyLoss | private |
calculateScore() | BALL::RotationalEntropyLoss | virtual |
CALCULATION__BOEHM enum value | BALL::RotationalEntropyLoss | |
CALCULATION__FROZEN_GLYCOSIDIC_BONDS enum value | BALL::RotationalEntropyLoss | |
CALCULATION__GLYCOSIDIC_BONDS enum value | BALL::RotationalEntropyLoss | |
CALCULATION__GLYCOSIDIC_CONTRIBUTION enum value | BALL::RotationalEntropyLoss | |
CALCULATION__ORIGINAL enum value | BALL::RotationalEntropyLoss | |
calculation_method_ | BALL::RotationalEntropyLoss | private |
CalculationMethod enum name | BALL::RotationalEntropyLoss | |
clear() | BALL::RotationalEntropyLoss | virtual |
cycleDFS_(const Atom *atom, HashSet< const Atom * > &visited, HashSet< const Bond * > &tree, std::stack< const Bond * > &possible_cycle_bonds, HashSet< const Bond * > &cycle_bonds, int &cycle_count) | BALL::RotationalEntropyLoss | private |
fresno_types_ | BALL::RotationalEntropyLoss | private |
frozenBondsDFS_(const Atom *atom, HashSet< const Atom * > &visited) | BALL::RotationalEntropyLoss | private |
getName() const | BALL::ScoringComponent | |
getScore() const | BALL::ScoringComponent | virtual |
getScoringFunction() const | BALL::ScoringComponent | |
glycosidic_bonds_ | BALL::RotationalEntropyLoss | private |
grid_ | BALL::RotationalEntropyLoss | private |
grid_spacing_ | BALL::RotationalEntropyLoss | private |
heavy_atom_fractions_ | BALL::RotationalEntropyLoss | private |
heavyAtomsDFS_(const Atom *atom, const Bond *bond, HashSet< const Atom * > &visited, int &heavy_atom_count, int &nonlip_heavy_atom_count) | BALL::RotationalEntropyLoss | private |
is_frozen_ | BALL::RotationalEntropyLoss | private |
ligand_ | BALL::RotationalEntropyLoss | private |
N_rot_ | BALL::RotationalEntropyLoss | private |
operator=(const RotationalEntropyLoss &fr) | BALL::RotationalEntropyLoss | |
operator==(const RotationalEntropyLoss &fr) const | BALL::RotationalEntropyLoss | |
receptor_ | BALL::RotationalEntropyLoss | private |
rotatable_bonds_ | BALL::RotationalEntropyLoss | private |
RotationalEntropyLoss() | BALL::RotationalEntropyLoss | |
RotationalEntropyLoss(ScoringFunction &sf) | BALL::RotationalEntropyLoss | |
RotationalEntropyLoss(const RotationalEntropyLoss &fr) | BALL::RotationalEntropyLoss | |
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::RotationalEntropyLoss | virtual |
updateFrozenBonds_() | BALL::RotationalEntropyLoss | private |
~RotationalEntropyLoss() | BALL::RotationalEntropyLoss | virtual |
~ScoringComponent() | BALL::ScoringComponent | virtual |