Changeset 1f591b for molecuilder/src/builder.cpp

Timestamp:

Apr 13, 2010, 1:22:42 PM (15 years ago)

Author:

Tillmann Crueger <crueger@…>

Children:

e7ea64

Parents:

0f55b2

Message:

Prepared interface of Vector Class for transition to VectorComposites

File:

• molecuilder/src/builder.cpp (modified) (3 diffs)

molecuilder/src/builder.cpp

@@ -1817 +1817 @@
                     first = second;
                     second = first->next;
-                    if (first->x.DistanceSquared((const Vector *)&third->x) > tmp1*tmp1) // distance to first above radius ...
+                    if (first->x.DistanceSquared(third->x) > tmp1*tmp1) // distance to first above radius ...
                       mol->RemoveAtom(first);
                   }
@@ -2096 +2096 @@
                     y[abs(axis)-1] = mol->cell_size[(abs(axis) == 2) ? 2 : ((abs(axis) == 3) ? 5 : 0)] * abs(axis)/axis; // last term is for sign, first is for magnitude
                     for (int i=1;i<faktor;i++) {  // then add this list with respective translation factor times
-                      x.AddVector(&y); // per factor one cell width further
+                      x += y; // per factor one cell width further
                       for (int k=count;k--;) { // go through every atom of the original cell
                         first = World::getInstance().createAtom(); // create a new body
-                        first->x.CopyVector(vectors[k]);  // use coordinate of original atom
-                        first->x.AddVector(&x);      // translate the coordinates
+                        first->x = (*vectors[k]) + x;
                         first->type = Elements[k];  // insert original element
                         mol->AddAtom(first);        // and add to the molecule (which increments ElementsInMolecule, AtomCount, ...)
@@ -2110 +2109 @@
                     // correct cell size
                     if (axis < 0) { // if sign was negative, we have to translate everything
-                      x.Zero();
-                      x.AddVector(&y);
-                      x.Scale(-(faktor-1));
+                      x =(-(faktor-1)) * y;
                       mol->Translate(&x);
                     }