Changeset d555b8 for src/Actions/AtomAction/RotateAroundOriginByAngleAction.cpp

Timestamp:

Jun 11, 2012, 9:53:19 AM (13 years ago)

Author:

Frederik Heber <heber@…>

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, 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:

33d0af

Parents:

c70fb4

git-author:

Michael Ankele <ankele@…> (04/25/12 13:22:06)

git-committer:

Frederik Heber <heber@…> (06/11/12 09:53:19)

Message:

Atom/RotateAroundOriginByAngleAction: recalculating radians

• doesn't overwrite angle Parameter
• untill default values are used, QtQueries show values from the last call of the same action, so we shouldn't change them

File:

• src/Actions/AtomAction/RotateAroundOriginByAngleAction.cpp (modified) (3 diffs)

src/Actions/AtomAction/RotateAroundOriginByAngleAction.cpp

@@ -48 +48 @@
 
   // convert from degrees to radian
-  params.angle.set(params.angle.get() * M_PI/180.);
+  double radian = params.angle.get() * M_PI/180.;
 
   // Creation Line that is the rotation axis
   Line RotationAxis(Vector(0.,0.,0.), params.Axis.get());
 
-  LOG(0, "Rotate around origin by " << params.angle.get() << " radian, axis from origin to " << params.Axis.get() << ".");
+  LOG(0, "Rotate around origin by " << radian << " radian, axis from origin to " << params.Axis.get() << ".");
   // TODO: use AtomSet::rotate?
   for (std::vector<atom *>::iterator iter = selectedAtoms.begin(); iter != selectedAtoms.end(); ++iter) {
-    (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), params.angle.get()));
+    (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), radian));
   }
   LOG(0, "done.");
@@ -65 +65 @@
   AtomRotateAroundOriginByAngleState *state = assert_cast<AtomRotateAroundOriginByAngleState*>(_state.get());
 
+  // convert from degrees to radian
+  double radian = params.angle.get() * M_PI/180.;
+
   // Creation Line that is the rotation axis
   Line RotationAxis(Vector(0.,0.,0.), state->params.Axis.get());
 
   for (std::vector<atom *>::iterator iter = state->selectedAtoms.begin(); iter != state->selectedAtoms.end(); ++iter) {
-    (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), -state->params.angle.get()));
+    (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), -radian));
   }
 
@@ -78 +81 @@
   AtomRotateAroundOriginByAngleState *state = assert_cast<AtomRotateAroundOriginByAngleState*>(_state.get());
 
+  // convert from degrees to radian
+  double radian = params.angle.get() * M_PI/180.;
+
   // Creation Line that is the rotation axis
   Line RotationAxis(Vector(0.,0.,0.), state->params.Axis.get());
 
   for (std::vector<atom *>::iterator iter = state->selectedAtoms.begin(); iter != state->selectedAtoms.end(); ++iter) {
-    (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), state->params.angle.get()));
+    (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), radian));
   }