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