BALL::DockingAlgorithm Member List

This is the complete list of members for BALL::DockingAlgorithm, including all inherited members.

abort()	BALL::DockingAlgorithm	virtual
abort_	BALL::DockingAlgorithm	protected
ALL_INTERMEDIATE_POSES enum value	BALL::DockingAlgorithm
BEST_INTERMEDIATE_POSES enum value	BALL::DockingAlgorithm
calculateRMSD(const AtomContainer &S1, const AtomContainer &S2, int *no_matched_atoms=NULL)	BALL::DockingAlgorithm
display_mode_	BALL::DockingAlgorithm	protected
DISPLAYMODE enum name	BALL::DockingAlgorithm
DockingAlgorithm()	BALL::DockingAlgorithm
DockingAlgorithm(System &receptor, System &ligand, Options &new_options)	BALL::DockingAlgorithm
DockingAlgorithm(System &receptor, System &ligand)	BALL::DockingAlgorithm
dockLigand(AtomContainer &ligand, bool verbose=0)	BALL::DockingAlgorithm	virtual
finish()	BALL::DockingAlgorithm	virtual
finished_	BALL::DockingAlgorithm	protected
getConformationSet(Index total_conformations=0)	BALL::DockingAlgorithm	virtual
getDisplayMode()	BALL::DockingAlgorithm
getLigand()	BALL::DockingAlgorithm
getName()	BALL::DockingAlgorithm
getProgress() const	BALL::DockingAlgorithm	virtual
getReferenceLigand()	BALL::DockingAlgorithm
getScoringFunction()	BALL::DockingAlgorithm
getVisualizationPose()	BALL::DockingAlgorithm
getVisualizationPoseScore()	BALL::DockingAlgorithm
hasFinished() const	BALL::DockingAlgorithm	virtual
ligand_	BALL::DockingAlgorithm	protected
mapCompounds(const AtomContainer &S1, const AtomContainer &S2, Size &no_matched_heavy_atoms, double &rmsd, double upper_bound, double lower_bound, double tolerance)	BALL::DockingAlgorithm	static
mapLigandOntoReferenceLigand()	BALL::DockingAlgorithm	protected
min_sec_between_visualizations_	BALL::DockingAlgorithm	protected
name_	BALL::DockingAlgorithm	protected
new_pose_to_be_visualized	BALL::DockingAlgorithm
NO_DISPLAY enum value	BALL::DockingAlgorithm
NO_INTERMEDIATE_POSES enum value	BALL::DockingAlgorithm
OPTION_FILE_PARAMETER_NAME	BALL::DockingAlgorithm	static
options	BALL::DockingAlgorithm
parameter_filename_	BALL::DockingAlgorithm	protected
pause()	BALL::DockingAlgorithm	virtual
pause_	BALL::DockingAlgorithm	protected
proceed()	BALL::DockingAlgorithm	virtual
processMultiMoleculeFile(string input_filename, string output_filename, double score_cutoff, vector< double > *min_atoms_in_ref_areas=0, String toolinfo="", String timestamp="")	BALL::DockingAlgorithm
readOptionFile(String filename, Options &output_options, list< Constraint * > &output_constraints, const AtomContainer *ref_ligand=0)	BALL::DockingAlgorithm	static
receptor_	BALL::DockingAlgorithm	protected
reference_ligand_	BALL::DockingAlgorithm	protected
reset()	BALL::DockingAlgorithm	virtual
scoring_function_	BALL::DockingAlgorithm	protected
scoring_type_	BALL::DockingAlgorithm	protected
setDisplayMode(DISPLAYMODE display_mode)	BALL::DockingAlgorithm
setLigand(AtomContainer *ligand)	BALL::DockingAlgorithm
setMaxFps(int no)	BALL::DockingAlgorithm
setScoringFunction(ScoringFunction *scoring)	BALL::DockingAlgorithm	inline
setup(System &receptor, System &ligand, Options &new_options)	BALL::DockingAlgorithm	virtual
setup(System &receptor, System &ligand)	BALL::DockingAlgorithm	virtual
setVisualizationPose(const double &score)	BALL::DockingAlgorithm
start()	BALL::DockingAlgorithm	virtual
system1_	BALL::DockingAlgorithm	protected
system2_	BALL::DockingAlgorithm	protected
visualization_pose_	BALL::DockingAlgorithm	protected
visualization_pose_score_	BALL::DockingAlgorithm	protected
visualization_timer_	BALL::DockingAlgorithm	protected
wasAborted() const	BALL::DockingAlgorithm	inlinevirtual
wasPaused() const	BALL::DockingAlgorithm	inlinevirtual
writeOptionFile(String filename, Options &input_options, list< Constraint * > &input_constraints)	BALL::DockingAlgorithm	static
writeSubcategories_(Options &category, std::ostream &out)	BALL::DockingAlgorithm	protectedstatic
~DockingAlgorithm()	BALL::DockingAlgorithm	virtual