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ProSHADE
0.7.6.1 (AUG 2021)
Protein Shape Detection
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Go to the documentation of this file.
26 #ifndef PROSHADE_TASKS
27 #define PROSHADE_TASKS
40 std::vector < proshade_signed* >* reboxedBounds, std::vector < proshade_double* >* manipulatedMaps );
42 std::vector< proshade_double >* rotFun );
44 std::vector< proshade_double >* mapCOMShift );
46 std::vector < proshade_double >* finalTranslation );
49 proshade_double trSigmDist, proshade_double rotFunDist );
void MapOverlayTask(ProSHADE_settings *settings, std::vector< proshade_double > *rotationCentre, std::vector< proshade_double > *eulerAngles, std::vector< proshade_double > *finalTranslation)
The symmetry detection task driver function.
void checkDistancesSettings(ProSHADE_settings *settings)
The distances computation settings checks.
void checkOverlaySettings(ProSHADE_settings *settings)
The map overlay computation settings checks.
void MapManipulationTask(ProSHADE_settings *settings, std::vector< proshade_signed * > *originalBounds, std::vector< proshade_signed * > *reboxedBounds, std::vector< proshade_double * > *manipulatedMaps)
The re-boxing task driver function.
This header file declares the functions required for the structure overlay computation.
This namespace contains the main driving functions for each task.
This class stores all the settings and is passed to the executive classes instead of a multitude of p...
void DistancesComputationTask(ProSHADE_settings *settings, std::vector< proshade_double > *enLevs, std::vector< proshade_double > *trSigm, std::vector< proshade_double > *rotFun)
The distances computation task driver function.
void ReportDistancesResults(ProSHADE_settings *settings, std::string str1, std::string str2, proshade_double enLevDist, proshade_double trSigmDist, proshade_double rotFunDist)
Simple function for reporting the distances computation results.
void checkMapManipulationSettings(ProSHADE_settings *settings)
The re-boxing settings checks.
void checkSymmetrySettings(ProSHADE_settings *settings)
The symmetry computation settings checks.
void SymmetryDetectionTask(ProSHADE_settings *settings, std::vector< proshade_double * > *axes, std::vector< std::vector< proshade_double > > *allCs, std::vector< proshade_double > *mapCOMShift)
The symmetry detection task driver function.