, including all inherited members.
base_function_ | BALL::ScoringFunction | [protected] |
calculateScore() | BALL::ScoringFunction | |
clear() | BALL::SLICKEnergy | [virtual] |
components_ | BALL::ScoringFunction | [protected] |
getBaseFunction() const | BALL::ScoringFunction | |
getCHPIScore() const | BALL::SLICKEnergy | |
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::SLICKEnergy | |
getIntercept() const | BALL::ScoringFunction | |
getLigand() const | BALL::ScoringFunction | |
getMaximumNumberOfErrors() const | BALL::ScoringFunction | |
getNonpolarSolvationScore() const | BALL::SLICKEnergy | |
getPolarSolvationScore() const | BALL::SLICKEnergy | |
getReceptor() const | BALL::ScoringFunction | |
getSecondMolecule() const | BALL::ScoringFunction | |
getUnassignedAtoms() const | BALL::ScoringFunction | |
getUnassignedAtoms() | BALL::ScoringFunction | |
getVDWScore() const | BALL::SLICKEnergy | |
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 SLICKEnergy &slick) | BALL::SLICKEnergy | |
BALL::ScoringFunction::operator=(const ScoringFunction &sf) | BALL::ScoringFunction | |
options | BALL::ScoringFunction | |
registerComponents_() | BALL::SLICKEnergy | [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 | |
SLICKEnergy() | BALL::SLICKEnergy | |
SLICKEnergy(Molecule &protein, Molecule &ligand) | BALL::SLICKEnergy | |
SLICKEnergy(Molecule &protein, Molecule &ligand, const Options &options) | BALL::SLICKEnergy | |
SLICKEnergy(const SLICKEnergy &slick) | BALL::SLICKEnergy | |
specificSetup() | BALL::SLICKEnergy | [virtual] |
unassigned_atoms_ | BALL::ScoringFunction | [protected] |
~ScoringFunction() | BALL::ScoringFunction | [virtual] |
~SLICKEnergy() | BALL::SLICKEnergy | [virtual] |