Changes in src/molecule_graph.cpp [35b698:014475]

File:

• src/molecule_graph.cpp (modified) (3 diffs)

src/molecule_graph.cpp

@@ -24 +24 @@
 #include "Helpers/fast_functions.hpp"
 #include "Helpers/Assert.hpp"
+#include "Matrix.hpp"
+#include "Box.hpp"
 
 
@@ -121 +123 @@
   LinkedCell *LC = NULL;
   bool free_BG = false;
-  double * const cell_size = World::getInstance().getDomain();
+  Box &domain = World::getInstance().getDomain();
 
   if (BG == NULL) {
@@ -178 +180 @@
                           //Log() << Verbose(1) << "Checking distance " << OtherWalker->x.PeriodicDistanceSquared(&(Walker->x), cell_size) << " against typical bond length of " << bonddistance*bonddistance << "." << endl;
                           (BG->*minmaxdistance)(Walker, OtherWalker, MinDistance, MaxDistance, IsAngstroem);
-                          const double distance = OtherWalker->x.PeriodicDistanceSquared(Walker->x,cell_size);
+                          const double distance = domain.periodicDistanceSquared(OtherWalker->x,Walker->x);
                           const bool status = (distance <= MaxDistance * MaxDistance) && (distance >= MinDistance * MinDistance);
 //                          Log() << Verbose(1) << "MinDistance is " << MinDistance << " and MaxDistance is " << MaxDistance << "." << endl;