Changeset 4eee8f for molecuilder/src/moleculelist.cpp

Timestamp:

Apr 30, 2010, 10:07:23 AM (16 years ago)

Author:

Tillmann Crueger <crueger@…>

Children:

59e7832

Parents:

f70c2a

Message:

Declared the Vector class as single point spaces

File:

• molecuilder/src/moleculelist.cpp (modified) (1 diff)

molecuilder/src/moleculelist.cpp

@@ -502 +502 @@
           if ((Runner->type->Z == 1) && (Runner->nr > Walker->nr) && (Binder->GetOtherAtom(Runner) != Binder->GetOtherAtom(Walker))) { // (hydrogens have only one bonding partner!)
             // 4. evaluate the morse potential for each matrix component and add up
-            distance = Runner->x.Distance(Walker->x);
+            distance = Runner->x.distance(Walker->x);
             //Log() << Verbose(0) << "Fragment " << (*ListRunner)->name << ": " << *Runner << "<= " << distance << "=>" << *Walker << ":" << endl;
             for (int k = 0; k < a; k++) {