Changeset 1fd675 for src/Actions/WorldAction/RepeatBoxAction.cpp

Timestamp:

Aug 28, 2010, 12:57:56 AM (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, Candidate_v1.7.0, 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/WorldAction/RepeatBoxAction.cpp (modified) (7 diffs)

src/Actions/WorldAction/RepeatBoxAction.cpp

@@ -20 +20 @@
 #include "Helpers/MemDebug.hpp"
 
-#include "Actions/WorldAction/RepeatBoxAction.hpp"
-#include "Actions/ActionRegistry.hpp"
+#include "Descriptors/MoleculePtrDescriptor.hpp"
 #include "atom.hpp"
 #include "Helpers/Log.hpp"
@@ -37 +36 @@
 using namespace std;
 
-#include "UIElements/UIFactory.hpp"
-#include "UIElements/Dialog.hpp"
-#include "Actions/ValueStorage.hpp"
-#include "Descriptors/MoleculeDescriptor.hpp"
-#include "Descriptors/MoleculePtrDescriptor.hpp"
+#include "Actions/WorldAction/RepeatBoxAction.hpp"
 
-const char WorldRepeatBoxAction::NAME[] = "repeat-box";
-
-WorldRepeatBoxAction::WorldRepeatBoxAction() :
-  Action(NAME)
-{}
-
-WorldRepeatBoxAction::~WorldRepeatBoxAction()
-{}
-
-void WorldRepeatBox(Vector &Repeater) {
-  ValueStorage::getInstance().setCurrentValue(WorldRepeatBoxAction::NAME, Repeater);
-  ActionRegistry::getInstance().getActionByName(WorldRepeatBoxAction::NAME)->call(Action::NonInteractive);
-};
-
-void WorldRepeatBoxAction::getParametersfromValueStorage()
-{};
-
-Dialog* WorldRepeatBoxAction::fillDialog(Dialog *dialog) {
-  ASSERT(dialog,"No Dialog given when filling action dialog");
-
-  dialog->queryVector(NAME, false, ValueStorage::getInstance().getDescription(NAME));
-
-  return dialog;
-}
-
+// and construct the stuff
+#include "RepeatBoxAction.def"
+#include "Action_impl_pre.hpp"
+/** =========== define the function ====================== */
 Action::state_ptr WorldRepeatBoxAction::performCall() {
-  Vector Repeater;
   int count;
   const element ** Elements;
@@ -77 +50 @@
   MoleculeListClass *molecules = World::getInstance().getMolecules();
 
-  ValueStorage::getInstance().queryCurrentValue(NAME, Repeater);
+  // obtain information
+  getParametersfromValueStorage();
 
   vector<molecule *> AllMolecules;
@@ -88 +62 @@
   }
 
-  (cout << "Repeating box " << Repeater << " times for (x,y,z) axis." << endl);
+  (cout << "Repeating box " << params.Repeater << " times for (x,y,z) axis." << endl);
   Matrix M = World::getInstance().getDomain().getM();
   Matrix newM = M;
@@ -95 +69 @@
   Matrix repMat;
   for (int axis = 0; axis < NDIM; axis++) {
-    Repeater[axis] = floor(Repeater[axis]);
-    if (Repeater[axis] < 1) {
+    params.Repeater[axis] = floor(params.Repeater[axis]);
+    if (params.Repeater[axis] < 1) {
       DoeLog(1) && (eLog()<< Verbose(1) << "Repetition factor must be greater than 1!" << endl);
-      Repeater[axis] = 1;
+      params.Repeater[axis] = 1;
     }
-    repMat.at(axis,axis) = Repeater[axis];
+    repMat.at(axis,axis) = params.Repeater[axis];
   }
   newM *= repMat;
@@ -107 +81 @@
   molecule *newmol = NULL;
   std::vector<Vector> vectors;
-  for (n[0] = 0; n[0] < Repeater[0]; n[0]++) {
+  for (n[0] = 0; n[0] < params.Repeater[0]; n[0]++) {
     y[0] = n[0];
-    for (n[1] = 0; n[1] < Repeater[1]; n[1]++) {
+    for (n[1] = 0; n[1] < params.Repeater[1]; n[1]++) {
       y[1] = n[1];
-      for (n[2] = 0; n[2] < Repeater[2]; n[2]++) {
+      for (n[2] = 0; n[2] < params.Repeater[2]; n[2]++) {
         y[2] = n[2];
         if ((n[0] == 0) && (n[1] == 0) && (n[2] == 0))
@@ -178 +152 @@
   return NAME;
 }
+/** =========== end of function ====================== */