Changeset 12f57b for molecuilder/src/analysis_correlation.cpp

Timestamp:

Mar 18, 2010, 11:33:54 AM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

6acc8e4

Parents:

f87c2a

git-author:

Frederik Heber <heber@…> (03/18/10 10:26:55)

git-committer:

Frederik Heber <heber@…> (03/18/10 11:33:54)

Message:

Log() and eLog() are prepended by a DoLog()/DoeLog() construct.

• Most of the run time (95%) is spent on verbosity that it is discarded anyway due to a low verbosity setting. However, the operator << is evaluated from the right-hand side, hence the whole message is constructed and then thrown away.
• DoLog() and DoeLog() are new functions that check the verbosity beforehand and are used as follows: DoLog(2) && (Log() << verbose(2) << "message" << endl);

Signed-off-by: Frederik Heber <heber@…>

File:

• molecuilder/src/analysis_correlation.cpp (modified) (7 diffs)

molecuilder/src/analysis_correlation.cpp

@@ -36 +36 @@
 
   if (molecules->ListOfMolecules.empty()) {
-    eLog() << Verbose(1) <<"No molecule given." << endl;
+    DoeLog(1) && (eLog()<< Verbose(1) <<"No molecule given." << endl);
     return outmap;
   }
@@ -42 +42 @@
   for (MoleculeList::const_iterator MolWalker = molecules->ListOfMolecules.begin(); MolWalker != molecules->ListOfMolecules.end(); MolWalker++)
     if ((*MolWalker)->ActiveFlag) {
-      eLog() << Verbose(2) << "Current molecule is " << *MolWalker << "." << endl;
+      DoeLog(2) && (eLog()<< Verbose(2) << "Current molecule is " << *MolWalker << "." << endl);
       atom *Walker = (*MolWalker)->start;
       while (Walker->next != (*MolWalker)->end) {
@@ -92 +92 @@
 
   if (molecules->ListOfMolecules.empty()) {
-    eLog() << Verbose(1) <<"No molecule given." << endl;
+    DoeLog(1) && (eLog()<< Verbose(1) <<"No molecule given." << endl);
     return outmap;
   }
@@ -100 +100 @@
       double * FullMatrix = ReturnFullMatrixforSymmetric(World::get()->cell_size);
       double * FullInverseMatrix = InverseMatrix(FullMatrix);
-      eLog() << Verbose(2) << "Current molecule is " << *MolWalker << "." << endl;
+      DoeLog(2) && (eLog()<< Verbose(2) << "Current molecule is " << *MolWalker << "." << endl);
       atom *Walker = (*MolWalker)->start;
       while (Walker->next != (*MolWalker)->end) {
@@ -257 +257 @@
 
   if ((Surface == NULL) || (LC == NULL) || (molecules->ListOfMolecules.empty())) {
-    eLog() << Verbose(1) <<"No Tesselation, no LinkedCell or no molecule given." << endl;
+    DoeLog(1) && (eLog()<< Verbose(1) <<"No Tesselation, no LinkedCell or no molecule given." << endl);
     return outmap;
   }
@@ -333 +333 @@
                 checkX.AddVector(&periodicX);
                 checkX.MatrixMultiplication(FullMatrix);
-                triangle = Surface->FindClosestTriangleToVector(&checkX, LC);
-                distance = Surface->GetDistanceSquaredToTriangle(checkX, triangle);
+                TriangleIntersectionList Intersections(&checkX,Surface,LC);
+                distance = Intersections.GetSmallestDistance();
+                triangle = Intersections.GetClosestTriangle();
                 if ((ShortestDistance == -1.) || (distance < ShortestDistance)) {
                   ShortestDistance = distance;
@@ -341 +342 @@
               }
           // insert
-          ShortestDistance = sqrt(ShortestDistance);
           outmap->insert ( pair<double, pair<atom *, BoundaryTriangleSet*> >(ShortestDistance, pair<atom *, BoundaryTriangleSet*> (Walker, ShortestTriangle) ) );
           //Log() << Verbose(1) << "INFO: Inserting " << Walker << " with distance " << ShortestDistance << " to " << *ShortestTriangle << "." << endl;