ProSHADE  0.7.6.6 (JUL 2022)
Protein Shape Detection
ProSHADE_tasks.hpp
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1 
22 //==================================================== ProSHADE
23 #include "ProSHADE_overlay.hpp"
24 
25 //==================================================== Overinclusion protection
26 #ifndef PROSHADE_TASKS
27 #define PROSHADE_TASKS
28 
29 //==================================================== ProSHADE_internal_tasks Namespace
38 {
39  void MapManipulationTask ( ProSHADE_settings* settings, std::vector < proshade_signed* >* originalBounds,
40  std::vector < proshade_signed* >* reboxedBounds, std::vector < proshade_double* >* manipulatedMaps );
41  void DistancesComputationTask ( ProSHADE_settings* settings, std::vector< proshade_double >* enLevs, std::vector< proshade_double >* trSigm,
42  std::vector< proshade_double >* rotFun );
43  void SymmetryDetectionTask ( ProSHADE_settings* settings, std::vector< proshade_double >* mapCOMShift, std::string* symT, proshade_unsign* symF, std::vector< proshade_double* >* symA, std::vector < std::vector< proshade_double > >* allCs );
44  void MapOverlayTask ( ProSHADE_settings* settings, std::vector < proshade_double >* rotationCentre, std::vector < proshade_double >* eulerAngles,
45  std::vector < proshade_double >* finalTranslation );
46  void SymmetryCentreDetectionTask ( ProSHADE_settings* settings, proshade_unsign strIndex = 0 );
47 
48  void ReportDistancesResults ( ProSHADE_settings* settings, std::string str1, std::string str2, proshade_double enLevDist,
49  proshade_double trSigmDist, proshade_double rotFunDist );
50 
52  void checkDistancesSettings ( ProSHADE_settings* settings );
53  void checkSymmetrySettings ( ProSHADE_settings* settings );
54  void checkOverlaySettings ( ProSHADE_settings* settings );
55 }
56 
57 
58 
59 #endif
ProSHADE_internal_tasks::MapOverlayTask
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.
Definition: ProSHADE_tasks.cpp:632
ProSHADE_internal_tasks::checkDistancesSettings
void checkDistancesSettings(ProSHADE_settings *settings)
The distances computation settings checks.
Definition: ProSHADE_tasks.cpp:258
ProSHADE_internal_tasks::checkOverlaySettings
void checkOverlaySettings(ProSHADE_settings *settings)
The map overlay computation settings checks.
Definition: ProSHADE_tasks.cpp:696
ProSHADE_internal_tasks::SymmetryDetectionTask
void SymmetryDetectionTask(ProSHADE_settings *settings, std::vector< proshade_double > *mapCOMShift, std::string *symT, proshade_unsign *symF, std::vector< proshade_double * > *symA, std::vector< std::vector< proshade_double > > *allCs)
The symmetry detection task driver function.
Definition: ProSHADE_tasks.cpp:290
ProSHADE_internal_tasks::MapManipulationTask
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.
Definition: ProSHADE_tasks.cpp:35
ProSHADE_overlay.hpp
This header file declares the functions required for the structure overlay computation.
ProSHADE_internal_tasks
This namespace contains the main driving functions for each task.
ProSHADE_settings
This class stores all the settings and is passed to the executive classes instead of a multitude of p...
Definition: ProSHADE_settings.hpp:37
ProSHADE_internal_tasks::DistancesComputationTask
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.
Definition: ProSHADE_tasks.cpp:147
ProSHADE_internal_tasks::ReportDistancesResults
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.
Definition: ProSHADE_tasks.cpp:228
ProSHADE_internal_tasks::checkMapManipulationSettings
void checkMapManipulationSettings(ProSHADE_settings *settings)
The re-boxing settings checks.
Definition: ProSHADE_tasks.cpp:106
ProSHADE_internal_tasks::checkSymmetrySettings
void checkSymmetrySettings(ProSHADE_settings *settings)
The symmetry computation settings checks.
Definition: ProSHADE_tasks.cpp:603
ProSHADE_internal_tasks::SymmetryCentreDetectionTask
void SymmetryCentreDetectionTask(ProSHADE_settings *settings, proshade_unsign strIndex=0)
The task for finding the structure centre based on phase-less symmetry detection.
Definition: ProSHADE_tasks.cpp:374