Changes in src/Actions/WorldAction/CenterOnEdgeAction.cpp [623e89:047878]

File:

• src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified) (3 diffs)

src/Actions/WorldAction/CenterOnEdgeAction.cpp

@@ -6 +6 @@
  */
 
+#include "Helpers/MemDebug.hpp"
+
 #include "Actions/WorldAction/CenterOnEdgeAction.hpp"
+#include "Actions/ActionRegistry.hpp"
 #include "atom.hpp"
 #include "log.hpp"
 #include "vector.hpp"
 #include "World.hpp"
+#include "Matrix.hpp"
 
 #include <iostream>
@@ -19 +23 @@
 #include "UIElements/UIFactory.hpp"
 #include "UIElements/Dialog.hpp"
-#include "Actions/MapOfActions.hpp"
+#include "UIElements/ValueStorage.hpp"
 #include "Helpers/Assert.hpp"
 
@@ -31 +35 @@
 {}
 
+void WorldCenterOnEdge() {
+  ActionRegistry::getInstance().getActionByName(WorldCenterOnEdgeAction::NAME)->call(Action::NonInteractive);
+};
+
+Dialog* WorldCenterOnEdgeAction::fillDialog(Dialog *dialog) {
+  ASSERT(dialog,"No Dialog given when filling action dialog");
+
+  dialog->queryEmpty(NAME, ValueStorage::getInstance().getDescription(NAME));
+
+  return dialog;
+}
+
 Action::state_ptr WorldCenterOnEdgeAction::performCall() {
-  Dialog *dialog = UIFactory::getInstance().makeDialog();
   Vector Min;
   Vector Max;
-  int j=0;
 
-  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
-    double * const cell_size = World::getInstance().getDomain();
-    for (j=0;j<6;j++)
-      cell_size[j] = 0.;
-    j=-1;
-    for (int i=0;i<NDIM;i++) {
-      j += i+1;
-      cell_size[j] = (Max[i]-Min[i]);
-    }
-    // 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;
 }