Changes in src/Analysis/analysis_correlation.cpp [7ee21d:a2a2f7]

File:

• src/Analysis/analysis_correlation.cpp (modified) (5 diffs)

src/Analysis/analysis_correlation.cpp

@@ -334 +334 @@
   const LinkedCell::LinkedList intersected_atoms_set(intersected_atoms.begin(), intersected_atoms_end);
 
+  // create map
+  outmap = new PairCorrelationMap;
+
   // get linked cell view
   LinkedCell::LinkedCell_View LC = World::getInstance().getLinkedCell(max_distance);
@@ -408 +411 @@
   }
 
+  outmap = new CorrelationToPointMap;
   for (std::vector<molecule *>::const_iterator MolWalker = molecules.begin(); MolWalker != molecules.end(); MolWalker++) {
     LOG(2, "Current molecule is " << *MolWalker << ".");
@@ -452 +456 @@
   }
 
+  outmap = new CorrelationToPointMap;
   for (std::vector<molecule *>::const_iterator MolWalker = molecules.begin(); MolWalker != molecules.end(); MolWalker++) {
     RealSpaceMatrix FullMatrix = World::getInstance().getDomain().getM();
@@ -505 +510 @@
   }
 
+  outmap = new CorrelationToSurfaceMap;
   for (std::vector<molecule *>::const_iterator MolWalker = molecules.begin(); MolWalker != molecules.end(); MolWalker++) {
     LOG(2, "Current molecule is " << (*MolWalker)->name << ".");
@@ -560 +566 @@
   }
 
+  outmap = new CorrelationToSurfaceMap;
   double ShortestDistance = 0.;
   BoundaryTriangleSet *ShortestTriangle = NULL;