Changes in src/Actions/WorldAction/RepeatBoxAction.cpp [da3024:ac2724]

File:

• src/Actions/WorldAction/RepeatBoxAction.cpp (modified) (6 diffs)

src/Actions/WorldAction/RepeatBoxAction.cpp

@@ -13 +13 @@
 #include "molecule.hpp"
 #include "vector.hpp"
+#include "Matrix.hpp"
 #include "verbose.hpp"
 #include "World.hpp"
+#include "Box.hpp"
 
 #include <iostream>
@@ -46 +48 @@
   MoleculeListClass *molecules = World::getInstance().getMolecules();
 
-  dialog->queryVector(NAME, &Repeater, World::getInstance().getDomain(), false, MapOfActions::getInstance().getDescription(NAME));
+  dialog->queryVector(NAME, &Repeater, false, MapOfActions::getInstance().getDescription(NAME));
   //dialog->queryMolecule("molecule-by-id", &mol,MapOfActions::getInstance().getDescription("molecule-by-id"));
   vector<molecule *> AllMolecules;
@@ -59 +61 @@
   if(dialog->display()) {
     (cout << "Repeating box " << Repeater << " times for (x,y,z) axis." << endl);
-    double * const cell_size = World::getInstance().getDomain();
-    double *M = ReturnFullMatrixforSymmetric(cell_size);
+    Matrix M = World::getInstance().getDomain().getM();
+    Matrix newM = M;
     Vector x,y;
     int n[NDIM];
+    Matrix repMat;
     for (int axis = 0; axis < NDIM; axis++) {
       Repeater[axis] = floor(Repeater[axis]);
@@ -69 +72 @@
         Repeater[axis] = 1;
       }
-      cell_size[(abs(axis+1) == 2) ? 2 : ((abs(axis+2) == 3) ? 5 : 0)] *= Repeater[axis];
+      repMat.at(axis,axis) = Repeater[axis];
     }
+    newM *= repMat;
+    World::getInstance().setDomain(newM);
 
     molecule *newmol = NULL;
@@ -98 +103 @@
                 DoeLog(1) && (eLog()<< Verbose(1) << "AtomCount " << count << " is not equal to number of atoms in molecule " << j << "!" << endl);
               x = y;
-              x.MatrixMultiplication(M);
+              x *= M;
               newmol = World::getInstance().createMolecule();
               molecules->insert(newmol);
@@ -118 +123 @@
       }
     }
-    delete(M);
     delete dialog;
     return Action::success;