Changes in src/ellipsoid.cpp [bf3817:952f38]

File:

• src/ellipsoid.cpp (modified) (5 diffs)

src/ellipsoid.cpp

@@ -6 +6 @@
  */
 
-// include config.h
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
-
 #include "Helpers/MemDebug.hpp"
 
@@ -20 +15 @@
 #include <set>
 
-#include "BoundaryPointSet.hpp"
 #include "boundary.hpp"
 #include "ellipsoid.hpp"
@@ -310 +304 @@
               if ((current != PickedAtomNrs.end()) && (*current == index)) {
                 Candidate = (*Runner);
-                DoLog(2) && (Log() << Verbose(2) << "Current picked node is " << (*Runner)->getName() << " with index " << index << "." << endl);
-                x[PointsPicked++] = Candidate->getPosition();    // we have one more atom picked
+                DoLog(2) && (Log() << Verbose(2) << "Current picked node is " << **Runner << " with index " << index << "." << endl);
+                x[PointsPicked++] = *Candidate->node;    // we have one more atom picked
                 current++;    // next pre-picked atom
               }
@@ -357 +351 @@
       //Log() << Verbose(3) << "Current node is " << *Runner->second->node << " with " << value << " ... " << threshold << ": ";
       if (value > threshold) {
-        x[PointsPicked] = (Runner->second->node->getPosition());
+        x[PointsPicked] = (*Runner->second->node->node);
         PointsPicked++;
         //Log() << Verbose(0) << "IN." << endl;
@@ -394 +388 @@
   Center.Zero();
   for (PointMap::iterator Runner = T->PointsOnBoundary.begin(); Runner != T->PointsOnBoundary.end(); Runner++)
-    Center += (Runner->second->node->getPosition());
+    Center += (*Runner->second->node->node);
   Center.Scale(1./T->PointsOnBoundaryCount);
   DoLog(1) && (Log() << Verbose(1) << "Center is at " << Center << "." << endl);