base_function_ | BALL::ScoringFunction | protected |
calculateScore() | BALL::ScoringFunction | |
clear() | BALL::SLICKScore | virtual |
components_ | BALL::ScoringFunction | protected |
getBaseFunction() const | BALL::ScoringFunction | |
getCHPIScore() const | BALL::SLICKScore | |
getCoefficient(const ScoringComponent *component, float &coefficient) const | BALL::ScoringFunction | |
getCoefficient(const String &name, float &coefficient) const | BALL::ScoringFunction | |
getComponent(const String &name) const | BALL::ScoringFunction | |
getComponent(const Size index) const | BALL::ScoringFunction | |
getFirstMolecule() const | BALL::ScoringFunction | |
getHydrogenBondScore() const | BALL::SLICKScore | |
getIntercept() const | BALL::ScoringFunction | |
getLigand() const | BALL::ScoringFunction | |
getMaximumNumberOfErrors() const | BALL::ScoringFunction | |
getNonpolarSolvationScore() const | BALL::SLICKScore | |
getPolarSolvationScore() const | BALL::SLICKScore | |
getReceptor() const | BALL::ScoringFunction | |
getSecondMolecule() const | BALL::ScoringFunction | |
getUnassignedAtoms() const | BALL::ScoringFunction | |
getUnassignedAtoms() | BALL::ScoringFunction | |
getVDWScore() const | BALL::SLICKScore | |
insertComponent(ScoringComponent *component, float coefficient=1.0f) | BALL::ScoringFunction | |
intercept_ | BALL::ScoringFunction | protected |
max_number_of_errors_ | BALL::ScoringFunction | protected |
molecule1_ | BALL::ScoringFunction | protected |
molecule2_ | BALL::ScoringFunction | protected |
name_ | BALL::ScoringFunction | protected |
number_of_errors_ | BALL::ScoringFunction | protected |
operator=(const SLICKScore &slick) | BALL::SLICKScore | |
BALL::ScoringFunction::operator=(const ScoringFunction &sf) | BALL::ScoringFunction | |
options | BALL::ScoringFunction | |
registerComponents_() | BALL::SLICKScore | private |
removeComponent(const ScoringComponent *component) | BALL::ScoringFunction | |
removeComponent(const String &name) | BALL::ScoringFunction | |
score_ | BALL::ScoringFunction | protected |
ScoringFunction() | BALL::ScoringFunction | |
ScoringFunction(const ScoringFunction &sf) | BALL::ScoringFunction | |
ScoringFunction(Molecule &receptor, Molecule &ligand) | BALL::ScoringFunction | |
ScoringFunction(Molecule &receptor, Molecule &ligand, const Options &options) | BALL::ScoringFunction | |
setBaseFunction(ScoringBaseFunction &base_function) | BALL::ScoringFunction | |
setCoefficient(const ScoringComponent *component, float coefficient) | BALL::ScoringFunction | |
setCoefficient(const String &name, float coefficient) | BALL::ScoringFunction | |
setFirstMolecule(Molecule &molecule1) | BALL::ScoringFunction | |
setIntercept(double intercept) | BALL::ScoringFunction | |
setLigand(Molecule &ligand) | BALL::ScoringFunction | |
setMaximumNumberOfErrors(Size nr) | BALL::ScoringFunction | |
setReceptor(Molecule &receptor) | BALL::ScoringFunction | |
setSecondMolecule(Molecule &molecule2) | BALL::ScoringFunction | |
setup() | BALL::ScoringFunction | |
setup(Molecule &receptor, Molecule &ligand) | BALL::ScoringFunction | |
setup(Molecule &receptor, Molecule &ligand, const Options &options) | BALL::ScoringFunction | |
SLICKScore() | BALL::SLICKScore | |
SLICKScore(Molecule &protein, Molecule &ligand) | BALL::SLICKScore | |
SLICKScore(Molecule &protein, Molecule &ligand, const Options &options) | BALL::SLICKScore | |
SLICKScore(const SLICKScore &slick) | BALL::SLICKScore | |
specificSetup() | BALL::SLICKScore | virtual |
unassigned_atoms_ | BALL::ScoringFunction | protected |
~ScoringFunction() | BALL::ScoringFunction | virtual |
~SLICKScore() | BALL::SLICKScore | virtual |