Changeset 1fd675 for src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.cpp

Timestamp:

Aug 28, 2010, 12:57:56 AM (14 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:

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)

Message:

All Actions are converted to the new macro framework.

• included all three values that have been used to create or convert the files
  • createdef.sh
  • createCpp.sh
  • createHeader.sh

File:

• src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.cpp (modified) (6 diffs)

src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.cpp

@@ -20 +20 @@
 #include "Helpers/MemDebug.hpp"
 
-#include "Actions/MoleculeAction/RotateAroundSelfByAngleAction.hpp"
-#include "Actions/ActionRegistry.hpp"
 #include "Helpers/Log.hpp"
 #include "Helpers/Verbose.hpp"
@@ -36 +34 @@
 using namespace std;
 
-#include "UIElements/UIFactory.hpp"
-#include "UIElements/Dialog.hpp"
-#include "Actions/ValueStorage.hpp"
+#include "Actions/MoleculeAction/RotateAroundSelfByAngleAction.hpp"
 
-/****** MoleculeRotateAroundSelfByAngleAction *****/
-
-// memento to remember the state when undoing
-
-class MoleculeRotateAroundSelfByAngleState : public ActionState {
-public:
-    MoleculeRotateAroundSelfByAngleState(molecule * const _mol, const Vector &_Axis, const double _alpha) :
-      mol(_mol),
-      Axis(_Axis),
-      alpha(_alpha)
-    {}
-    molecule* const mol;
-    Vector Axis;
-    double alpha;
-};
-
-const char MoleculeRotateAroundSelfByAngleAction::NAME[] = "rotate-self";
-
-MoleculeRotateAroundSelfByAngleAction::MoleculeRotateAroundSelfByAngleAction() :
-  Action(NAME)
-{}
-
-MoleculeRotateAroundSelfByAngleAction::~MoleculeRotateAroundSelfByAngleAction()
-{}
-
-void MoleculeRotateAroundSelfByAngle(const Vector &Axis, const double angle) {
-  ValueStorage::getInstance().setCurrentValue(MoleculeRotateAroundSelfByAngleAction::NAME, angle);
-  ValueStorage::getInstance().setCurrentValue("position", Axis);
-  ActionRegistry::getInstance().getActionByName(MoleculeRotateAroundSelfByAngleAction::NAME)->call(Action::NonInteractive);
-};
-
-void MoleculeRotateAroundSelfByAngleAction::getParametersfromValueStorage()
-{};
-
-Dialog* MoleculeRotateAroundSelfByAngleAction::fillDialog(Dialog *dialog) {
-  ASSERT(dialog,"No Dialog given when filling action dialog");
-
-  dialog->queryDouble(NAME, ValueStorage::getInstance().getDescription(NAME));
-  dialog->queryVector("position", false, ValueStorage::getInstance().getDescription(NAME));
-
-  return dialog;
-}
-
+// and construct the stuff
+#include "RotateAroundSelfByAngleAction.def"
+#include "Action_impl_pre.hpp"
+/** =========== define the function ====================== */
 Action::state_ptr MoleculeRotateAroundSelfByAngleAction::performCall() {
   molecule *mol = NULL;
-  double alpha = 0.;
-  Vector Axis;
 
-  // obtain angle and axis around which rotate
-  ValueStorage::getInstance().queryCurrentValue(NAME, alpha);
-  ValueStorage::getInstance().queryCurrentValue("position", Axis);
+  // obtain information
+  getParametersfromValueStorage();
 
   // check whether a single atom and molecule is selected
@@ -98 +52 @@
 
   // check whether Axis is valid
-  if (Axis.IsZero())
+  if (params.Axis.IsZero())
     return Action::failure;
 
   // convert from degrees to radian
-  alpha *= M_PI/180.;
+  params.angle *= M_PI/180.;
 
   // Creation Line that is the rotation axis
   Vector *CenterOfGravity = mol->DetermineCenterOfGravity();
-  Line RotationAxis(*CenterOfGravity, Axis);
+  Line RotationAxis(*CenterOfGravity, params.Axis);
   delete(CenterOfGravity);
-  DoLog(0) && (Log() << Verbose(0) << "Rotate around self by " << alpha << " along " << RotationAxis << "." << endl);
+  DoLog(0) && (Log() << Verbose(0) << "Rotate around self by " << params.angle << " along " << RotationAxis << "." << endl);
 
   for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
-    (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), alpha));
+    (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), params.angle));
   }
   DoLog(0) && (Log() << Verbose(0) << "done." << endl);
 
-  return Action::state_ptr(new MoleculeRotateAroundSelfByAngleState(mol, Axis, alpha));
+  return Action::state_ptr(new MoleculeRotateAroundSelfByAngleState(mol, params));
 }
 
@@ -122 +76 @@
 
   Vector *CenterOfGravity = state->mol->DetermineCenterOfGravity();
-  Line RotationAxis(*CenterOfGravity, state->Axis);
+  Line RotationAxis(*CenterOfGravity, state->params.Axis);
   delete(CenterOfGravity);
 
   for (molecule::iterator iter = state->mol->begin(); iter != state->mol->end(); ++iter) {
-    (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), -state->alpha));
+    (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), -state->params.angle));
   }
 
@@ -136 +90 @@
 
   Vector *CenterOfGravity = state->mol->DetermineCenterOfGravity();
-  Line RotationAxis(*CenterOfGravity, state->Axis);
+  Line RotationAxis(*CenterOfGravity, state->params.Axis);
   delete(CenterOfGravity);
 
   for (molecule::iterator iter = state->mol->begin(); iter != state->mol->end(); ++iter) {
-    (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), state->alpha));
+    (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), state->params.angle));
   }
 
@@ -157 +111 @@
   return NAME;
 }
+/** =========== end of function ====================== */