Changes in src/linkedcell.cpp [d74077:952f38]

File:

• src/linkedcell.cpp (modified) (9 diffs)

src/linkedcell.cpp

@@ -8 +8 @@
 
 #include "atom.hpp"
-#include "helpers.hpp"
+#include "Helpers/helpers.hpp"
 #include "linkedcell.hpp"
-#include "verbose.hpp"
-#include "log.hpp"
+#include "Helpers/Verbose.hpp"
+#include "Helpers/Log.hpp"
 #include "molecule.hpp"
 #include "tesselation.hpp"
-#include "vector.hpp"
+#include "LinearAlgebra/Vector.hpp"
 
 // ========================================================= class LinkedCell ===========================================
@@ -56 +56 @@
   Walker = set->GetPoint();
   for (int i=0;i<NDIM;i++) {
-    max[i] = Walker->at(i);
-    min[i] = Walker->at(i);
+    max[i] = Walker->node->at(i);
+    min[i] = Walker->node->at(i);
   }
   set->GoToFirst();
@@ -63 +63 @@
     Walker = set->GetPoint();
     for (int i=0;i<NDIM;i++) {
-      if (max[i] < Walker->at(i))
-        max[i] = Walker->at(i);
-      if (min[i] > Walker->at(i))
-        min[i] = Walker->at(i);
+      if (max[i] < Walker->node->at(i))
+        max[i] = Walker->node->at(i);
+      if (min[i] > Walker->node->at(i))
+        min[i] = Walker->node->at(i);
     }
     set->GoToNext();
@@ -96 +96 @@
     Walker = set->GetPoint();
     for (int i=0;i<NDIM;i++) {
-      n[i] = static_cast<int>(floor((Walker->at(i) - min[i])/RADIUS));
+      n[i] = static_cast<int>(floor((Walker->node->at(i) - min[i])/RADIUS));
     }
     index = n[0] * N[1] * N[2] + n[1] * N[2] + n[2];
@@ -130 +130 @@
   LinkedNodes::iterator Runner = set->begin();
   for (int i=0;i<NDIM;i++) {
-    max[i] = (*Runner)->at(i);
-    min[i] = (*Runner)->at(i);
+    max[i] = (*Runner)->node->at(i);
+    min[i] = (*Runner)->node->at(i);
   }
   for (LinkedNodes::iterator Runner = set->begin(); Runner != set->end(); Runner++) {
     Walker = *Runner;
     for (int i=0;i<NDIM;i++) {
-      if (max[i] < Walker->at(i))
-        max[i] = Walker->at(i);
-      if (min[i] > Walker->at(i))
-        min[i] = Walker->at(i);
+      if (max[i] < Walker->node->at(i))
+        max[i] = Walker->node->at(i);
+      if (min[i] > Walker->node->at(i))
+        min[i] = Walker->node->at(i);
     }
   }
@@ -167 +167 @@
     Walker = *Runner;
     for (int i=0;i<NDIM;i++) {
-      n[i] = static_cast<int>(floor((Walker->at(i) - min[i])/RADIUS));
+      n[i] = static_cast<int>(floor((Walker->node->at(i) - min[i])/RADIUS));
     }
     index = n[0] * N[1] * N[2] + n[1] * N[2] + n[2];
@@ -248 +248 @@
  * \return Vector is inside bounding box - true, else - false
  */
-bool LinkedCell::SetIndexToVector(const Vector & x) const
+bool LinkedCell::SetIndexToVector(const Vector * const x) const
 {
   for (int i=0;i<NDIM;i++)
-    n[i] = (int)floor((x.at(i) - min[i])/RADIUS);
+    n[i] = (int)floor((x->at(i) - min[i])/RADIUS);
 
   return CheckBounds();
@@ -264 +264 @@
   bool status = false;
   for (int i=0;i<NDIM;i++) {
-    n[i] = static_cast<int>(floor((Walker->at(i) - min[i])/RADIUS));
+    n[i] = static_cast<int>(floor((Walker->node->at(i) - min[i])/RADIUS));
   }
   index = n[0] * N[1] * N[2] + n[1] * N[2] + n[2];
@@ -404 +404 @@
       Walker = *Runner;
       //Log() << Verbose(1) << "Current neighbour is at " << *Walker->node << "." << endl;
-      if ((Walker->DistanceSquared(*center) - radiusSquared) < MYEPSILON) {
+      if ((center->DistanceSquared(*Walker->node) - radiusSquared) < MYEPSILON) {
         TesselList->push_back(Walker);
       }