Changeset e7ea64 for molecuilder/src/molecule_geometry.cpp

Timestamp:

Apr 15, 2010, 10:54:26 AM (16 years ago)

Author:

Tillmann Crueger <crueger@…>

Children:

32842d8

Parents:

1f591b

Message:

Changed implementation of Vector to forward operations to contained objects

File:

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

molecuilder/src/molecule_geometry.cpp

@@ -191 +191 @@
 /** Scales all atoms by \a *factor.
  * \param *factor pointer to scaling factor
+ *
+ * TODO: Is this realy what is meant, i.e.
+ * x=(x[0]*factor[0],x[1]*factor[1],x[2]*factor[2]) (current impl)
+ * or rather
+ * x=(**factor) * x (as suggested by comment)
  */
 void molecule::Scale(const double ** const factor)
@@ -199 +204 @@
     ptr = ptr->next;
     for (int j=0;j<MDSteps;j++)
-      ptr->Trajectory.R.at(j).Scale(factor);
-    ptr->x.Scale(factor);
+      ptr->Trajectory.R.at(j).ScaleAll(*factor);
+    ptr->x.ScaleAll(*factor);
   }
 };
@@ -214 +219 @@
     ptr = ptr->next;
     for (int j=0;j<MDSteps;j++)
-      ptr->Trajectory.R.at(j).Translate(*trans);
-    ptr->x.Translate(*trans);
+      ptr->Trajectory.R.at(j) += (*trans);
+    ptr->x += (*trans);
   }
 };