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GeometricFit Member List

This is the complete list of members for GeometricFit, including all inherited members.

abort() (defined in DockingAlgorithm)DockingAlgorithm [virtual]
abort_ (defined in DockingAlgorithm)DockingAlgorithm [protected]
calcConjugate_(ProteinIndex pro_idx) (defined in GeometricFit)GeometricFit [protected]
changeProteinOrientation_(System &system, Vector3 euler_ang) (defined in GeometricFit)GeometricFit [protected]
CONNOLLY enum value (defined in GeometricFit)GeometricFit
current_round_ (defined in GeometricFit)GeometricFit [protected]
destroy_() (defined in GeometricFit)GeometricFit [protected]
doPreTranslation_(ProteinIndex pro_idx) (defined in GeometricFit)GeometricFit [protected]
FFT_grid_a_ (defined in GeometricFit)GeometricFit [protected]
FFT_grid_b_ (defined in GeometricFit)GeometricFit [protected]
FFT_grid_lower_coord_ (defined in GeometricFit)GeometricFit [protected]
FFT_grid_lower_index_ (defined in GeometricFit)GeometricFit [protected]
FFT_grid_origin_ (defined in GeometricFit)GeometricFit [protected]
FFT_grid_size_index_ (defined in GeometricFit)GeometricFit [protected]
FFT_grid_upper_coord_ (defined in GeometricFit)GeometricFit [protected]
FFT_grid_upper_index_ (defined in GeometricFit)GeometricFit [protected]
FFTGridMulti_() (defined in GeometricFit)GeometricFit [protected]
findConnollySurfacePoints_(System &system, ProteinIndex pro_idx) (defined in GeometricFit)GeometricFit [protected]
findFTDockInsidePoints_(System &system, ProteinIndex pro_idx) (defined in GeometricFit)GeometricFit [protected]
findFTDockSurfacePoints_(System &system, ProteinIndex pro_idx) (defined in GeometricFit)GeometricFit [protected]
findInsidePoints_(System &system, ProteinIndex pro_idx) (defined in GeometricFit)GeometricFit [protected]
findVanDerWaalsSurfacePoints_(System &system, ProteinIndex pro_idx) (defined in GeometricFit)GeometricFit [protected]
FTDOCK enum value (defined in GeometricFit)GeometricFit
GeometricFit() (defined in GeometricFit)GeometricFit
GeometricFit(System &system1, System &system2)GeometricFit
GeometricFit(Options &new_options)GeometricFit
GeometricFit(System &system1, System &system2, Options &new_options)GeometricFit
getConformationSet(Index total_number=0)GeometricFit [virtual]
getGlobalPeak_(Peak_ *peak_list) (defined in GeometricFit)GeometricFit [protected]
getMassCenter_(System &system)GeometricFit [protected]
getOrientation(Index con_num) const GeometricFit
getProgress() const (defined in GeometricFit)GeometricFit [virtual]
getRadius_(System &system)GeometricFit [protected]
getSeparation_(const Vector3 &mat_pos) (defined in GeometricFit)GeometricFit [protected]
getTranslation(Index con_num) const GeometricFit
getTranslation_(const Vector3 &mat_pos) (defined in GeometricFit)GeometricFit [protected]
hasFinished() const (defined in GeometricFit)GeometricFit [virtual]
initFFTGrid_(ProteinIndex pro_idx)GeometricFit [protected]
initGridSizes_() (defined in GeometricFit)GeometricFit [protected]
makeFFTGrid_(ProteinIndex pro_idx) (defined in GeometricFit)GeometricFit [protected]
optimizeGridSize_(int raw_size)GeometricFit [protected]
optionsGeometricFit
orientations_ (defined in GeometricFit)GeometricFit [protected]
pause() (defined in DockingAlgorithm)DockingAlgorithm [virtual]
pause_ (defined in DockingAlgorithm)DockingAlgorithm [protected]
peak_set_ (defined in GeometricFit)GeometricFit [protected]
pre_translation_a_ (defined in GeometricFit)GeometricFit [protected]
pre_translation_b_ (defined in GeometricFit)GeometricFit [protected]
proceed() (defined in DockingAlgorithm)DockingAlgorithm [virtual]
PROTEIN_A enum value (defined in GeometricFit)GeometricFit
PROTEIN_B enum value (defined in GeometricFit)GeometricFit
ProteinIndex enum name (defined in GeometricFit)GeometricFit
radius_a_ (defined in GeometricFit)GeometricFit [protected]
radius_b_ (defined in GeometricFit)GeometricFit [protected]
setup(System &system1, System &system2, Options &new_options)GeometricFit [virtual]
setup(System &system1, System &system2)GeometricFit [virtual]
start()GeometricFit [virtual]
SurfaceType enum name (defined in GeometricFit)GeometricFit
system1_ (defined in DockingAlgorithm)DockingAlgorithm [protected]
system2_ (defined in DockingAlgorithm)DockingAlgorithm [protected]
system_backup_a_ (defined in GeometricFit)GeometricFit [protected]
system_backup_b_ (defined in GeometricFit)GeometricFit [protected]
total_round_ (defined in GeometricFit)GeometricFit [protected]
translations_ (defined in GeometricFit)GeometricFit [protected]
VAN_DER_WAALS enum value (defined in GeometricFit)GeometricFit
wasAborted() const (defined in DockingAlgorithm)DockingAlgorithm [virtual]
wasPaused() const (defined in DockingAlgorithm)DockingAlgorithm [virtual]
~DockingAlgorithm() (defined in DockingAlgorithm)DockingAlgorithm [virtual]
~GeometricFit() (defined in GeometricFit)GeometricFit