Changeset 1614a17 for molecuilder/src/builder.cpp

Timestamp:

Feb 25, 2010, 11:15:22 AM (16 years ago)

Author:

Tillmann Crueger <crueger@…>

Children:

f467c6

Parents:

536380 (diff), 2e6496 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'StructureRefactoring' into MenuRefactoring

File:

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

molecuilder/src/builder.cpp

@@ -1481 +1481 @@
                 SaveFlag = true;
                 Log() << Verbose(1) << "Adding new atom with element " << argv[argptr] << " at (" << argv[argptr+1] << "," << argv[argptr+2] << "," << argv[argptr+3] << "), ";
-                first = new atom;
+                first = World::get()->createAtom();
                 first->type = periode->FindElement(atoi(argv[argptr]));
                 if (first->type != NULL)
@@ -1641 +1641 @@
 //                first->x.Zero();
 //                filler->AddAtom(first);
-                first = new atom();
+                first = World::get()->createAtom();
                 first->type = periode->FindElement(1);
                 first->x.Init(0.441, -0.143, 0.);
                 filler->AddAtom(first);
-                second = new atom();
+                second = World::get()->createAtom();
                 second->type = periode->FindElement(1);
                 second->x.Init(-0.464, 1.137, 0.0);
                 filler->AddAtom(second);
-                third = new atom();
+                third = World::get()->createAtom();
                 third->type = periode->FindElement(8);
                 third->x.Init(-0.464, 0.177, 0.);
@@ -2097 +2097 @@
                       x.AddVector(&y); // per factor one cell width further
                       for (int k=count;k--;) { // go through every atom of the original cell
-                        first = new atom(); // create a new body
+                        first = World::get()->createAtom(); // create a new body
                         first->x.CopyVector(vectors[k]);  // use coordinate of original atom
                         first->x.AddVector(&x);      // translate the coordinates