- Timestamp:
- Aug 28, 2010, 12:57:56 AM (15 years ago)
- Branches:
- Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, Candidate_v1.7.0, Candidate_v1.7.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable
- Children:
- 966e12
- Parents:
- 53d01c
- git-author:
- Frederik Heber <heber@…> (08/26/10 21:05:34)
- git-committer:
- Frederik Heber <heber@…> (08/28/10 00:57:56)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/AtomAction/RotateAroundOriginByAngleAction.cpp
r53d01c r1fd675 20 20 #include "Helpers/MemDebug.hpp" 21 21 22 #include "Actions/AtomAction/RotateAroundOriginByAngleAction.hpp"23 #include "Actions/ActionRegistry.hpp"24 22 #include "Helpers/Log.hpp" 25 23 #include "Helpers/Verbose.hpp" … … 36 34 using namespace std; 37 35 38 #include "UIElements/UIFactory.hpp" 39 #include "UIElements/Dialog.hpp" 40 #include "Actions/ValueStorage.hpp" 36 #include "Actions/AtomAction/RotateAroundOriginByAngleAction.hpp" 41 37 42 /****** AtomRotateAroundOriginByAngleAction *****/ 43 44 // memento to remember the state when undoing 45 46 class AtomRotateAroundOriginByAngleState : public ActionState { 47 public: 48 AtomRotateAroundOriginByAngleState(std::vector<atom*> _selectedAtoms, const Vector &_Axis, const double _alpha) : 49 selectedAtoms(_selectedAtoms), 50 Axis(_Axis), 51 alpha(_alpha) 52 {} 53 std::vector<atom*> selectedAtoms; 54 Vector Axis; 55 double alpha; 56 }; 57 58 const char AtomRotateAroundOriginByAngleAction::NAME[] = "rotate-origin"; 59 60 AtomRotateAroundOriginByAngleAction::AtomRotateAroundOriginByAngleAction() : 61 Action(NAME) 62 {} 63 64 AtomRotateAroundOriginByAngleAction::~AtomRotateAroundOriginByAngleAction() 65 {} 66 67 void AtomRotateAroundOriginByAngle(const Vector &Axis, double angle) { 68 ValueStorage::getInstance().setCurrentValue(AtomRotateAroundOriginByAngleAction::NAME, angle); 69 ValueStorage::getInstance().setCurrentValue("position", Axis); 70 ActionRegistry::getInstance().getActionByName(AtomRotateAroundOriginByAngleAction::NAME)->call(Action::NonInteractive); 71 }; 72 73 void AtomRotateAroundOriginByAngleAction::getParametersfromValueStorage() 74 {}; 75 76 Dialog* AtomRotateAroundOriginByAngleAction::fillDialog(Dialog *dialog) { 77 ASSERT(dialog,"No Dialog given when filling action dialog"); 78 79 dialog->queryDouble(NAME, ValueStorage::getInstance().getDescription(NAME)); 80 dialog->queryVector("position", false, ValueStorage::getInstance().getDescription("position")); 81 82 return dialog; 83 } 84 38 // and construct the stuff 39 #include "RotateAroundOriginByAngleAction.def" 40 #include "Action_impl_pre.hpp" 41 /** =========== define the function ====================== */ 85 42 Action::state_ptr AtomRotateAroundOriginByAngleAction::performCall() { 86 double alpha = 0.;87 Vector Axis;88 43 std::vector<atom *> selectedAtoms = World::getInstance().getSelectedAtoms(); 89 44 90 // obtain axis to rotate to 91 ValueStorage::getInstance().queryCurrentValue(NAME, alpha); 92 ValueStorage::getInstance().queryCurrentValue("position", Axis); 45 // obtain information 46 getParametersfromValueStorage(); 93 47 94 48 // check whether Axis is valid 95 if ( Axis.IsZero())49 if (params.Axis.IsZero()) 96 50 return Action::failure; 97 51 98 52 // convert from degrees to radian 99 alpha*= M_PI/180.;53 params.angle *= M_PI/180.; 100 54 101 55 // Creation Line that is the rotation axis 102 Line RotationAxis(Vector(0.,0.,0.), Axis);56 Line RotationAxis(Vector(0.,0.,0.), params.Axis); 103 57 104 DoLog(0) && (Log() << Verbose(0) << "Rotate around origin by " << alpha << " radian, axis from origin to " <<Axis << "." << endl);58 DoLog(0) && (Log() << Verbose(0) << "Rotate around origin by " << params.angle << " radian, axis from origin to " << params.Axis << "." << endl); 105 59 // TODO: use AtomSet::rotate? 106 60 for (std::vector<atom *>::iterator iter = selectedAtoms.begin(); iter != selectedAtoms.end(); ++iter) { 107 (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), alpha));61 (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), params.angle)); 108 62 } 109 63 DoLog(0) && (Log() << Verbose(0) << "done." << endl); 110 return Action::state_ptr(new AtomRotateAroundOriginByAngleState(World::getInstance().getSelectedAtoms(), Axis, alpha));64 return Action::state_ptr(new AtomRotateAroundOriginByAngleState(World::getInstance().getSelectedAtoms(), params)); 111 65 } 112 66 … … 115 69 116 70 // Creation Line that is the rotation axis 117 Line RotationAxis(Vector(0.,0.,0.), state-> Axis);71 Line RotationAxis(Vector(0.,0.,0.), state->params.Axis); 118 72 119 73 for (std::vector<atom *>::iterator iter = state->selectedAtoms.begin(); iter != state->selectedAtoms.end(); ++iter) { 120 (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), -state-> alpha));74 (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), -state->params.angle)); 121 75 } 122 76 … … 128 82 129 83 // Creation Line that is the rotation axis 130 Line RotationAxis(Vector(0.,0.,0.), state-> Axis);84 Line RotationAxis(Vector(0.,0.,0.), state->params.Axis); 131 85 132 86 for (std::vector<atom *>::iterator iter = state->selectedAtoms.begin(); iter != state->selectedAtoms.end(); ++iter) { 133 (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), state-> alpha));87 (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), state->params.angle)); 134 88 } 135 89 … … 148 102 return NAME; 149 103 } 104 /** =========== end of function ====================== */
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