Changeset 1ba67d for src/Actions

Timestamp:

Jul 22, 2010, 9:06:09 PM (15 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:

7882e9

Parents:

8da96a

Message:

converted CenterOnEdgeAction to new createDialog().

Location:

src/Actions/WorldAction

Files:

• CenterOnEdgeAction.cpp (modified) (2 diffs)
• CenterOnEdgeAction.hpp (modified) (1 diff)

src/Actions/WorldAction/CenterOnEdgeAction.cpp

@@ -22 +22 @@
 #include "UIElements/UIFactory.hpp"
 #include "UIElements/Dialog.hpp"
-#include "Actions/MapOfActions.hpp"
+#include "UIElements/ValueStorage.hpp"
 #include "Helpers/Assert.hpp"
 
@@ -34 +34 @@
 {}
 
+Dialog* WorldCenterOnEdgeAction::createDialog() {
+  Dialog *dialog = UIFactory::getInstance().makeDialog();
+
+  dialog->queryEmpty(NAME, ValueStorage::getInstance().getDescription(NAME));
+
+  return dialog;
+}
+
 Action::state_ptr WorldCenterOnEdgeAction::performCall() {
-  Dialog *dialog = UIFactory::getInstance().makeDialog();
   Vector Min;
   Vector Max;
 
-  dialog->queryEmpty(NAME, MapOfActions::getInstance().getDescription(NAME));
+  // get maximum and minimum
+  vector<atom *> AllAtoms = World::getInstance().getAllAtoms();
+  ASSERT(AllAtoms.size() > 0, "For CenteronEdge atoms must be present.");
+  vector<atom *>::iterator AtomRunner = AllAtoms.begin();
+  Min = (*AtomRunner)->x;
+  Max = (*AtomRunner)->x;
+  for (; AtomRunner != AllAtoms.end(); ++AtomRunner) {
+    for (int i=0;i<NDIM;i++) {
+      if ((*AtomRunner)->x[i] > Max[i])
+        Max[i] = (*AtomRunner)->x[i];
+      if ((*AtomRunner)->x[i] < Min[i])
+        Min[i] = (*AtomRunner)->x[i];
+    }
+  }
+  // set new box size
+  Matrix domain;
+  for (int i=0;i<NDIM;i++) {
+    double tmp = Max[i]-Min[i];
+    tmp = fabs(tmp)>=1. ? tmp : 1.0;
+    domain.at(i,i) = tmp;
+  }
+  World::getInstance().setDomain(domain);
+  // translate all atoms, such that Min is aty (0,0,0)
+  for (vector<atom*>::iterator AtomRunner = AllAtoms.begin(); AtomRunner != AllAtoms.end(); ++AtomRunner)
+    (*AtomRunner)->x -= Min;
 
-  if(dialog->display()) {
-    // get maximum and minimum
-    vector<atom *> AllAtoms = World::getInstance().getAllAtoms();
-    ASSERT(AllAtoms.size() > 0, "For CenteronEdge atoms must be present.");
-    vector<atom *>::iterator AtomRunner = AllAtoms.begin();
-    Min = (*AtomRunner)->x;
-    Max = (*AtomRunner)->x;
-    for (; AtomRunner != AllAtoms.end(); ++AtomRunner) {
-      for (int i=0;i<NDIM;i++) {
-        if ((*AtomRunner)->x[i] > Max[i])
-          Max[i] = (*AtomRunner)->x[i];
-        if ((*AtomRunner)->x[i] < Min[i])
-          Min[i] = (*AtomRunner)->x[i];
-      }
-    }
-    // set new box size
-    Matrix domain;
-    for (int i=0;i<NDIM;i++) {
-      double tmp = Max[i]-Min[i];
-      tmp = fabs(tmp)>=1. ? tmp : 1.0;
-      domain.at(i,i) = tmp;
-    }
-    World::getInstance().setDomain(domain);
-    // translate all atoms, such that Min is aty (0,0,0)
-    for (vector<atom*>::iterator AtomRunner = AllAtoms.begin(); AtomRunner != AllAtoms.end(); ++AtomRunner)
-      (*AtomRunner)->x -= Min;
-    delete dialog;
-    return Action::success;
-  } else {
-    delete dialog;
-    return Action::failure;
-  }
+  return Action::success;
 }
 

src/Actions/WorldAction/CenterOnEdgeAction.hpp

@@ -21 +21 @@
   virtual const std::string getName();
 private:
+  virtual Dialog * createDialog();
   virtual Action::state_ptr performCall();
   virtual Action::state_ptr performUndo(Action::state_ptr);