Changeset 09d3b8 for molecuilder/src/tesselationhelpers.cpp

Timestamp:

Nov 10, 2009, 8:59:00 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

418117a

Parents:

2fbbc96

Message:

Attempt to fix tesselation for case 1_2-dimethylbenzene.

• The issue is still the strongly degenerated end of the molecule, that is very flat.
• new function: Tesselation::HasOtherBaselineBetterCandidate() - checks whether for the two other baselines of a proposed triangle there isn't an even better candidate
• Tesselation::FindNextSuitableTriangle() uses the above function.
• FindNonConvexBorder() - instead of jumping to end() if a new line was attempted, we jump to the beginning but only if new line was created succesfully.
• DoSingleStepOutput reactived for this debugging.

• Where the newly installed tesselations did only fail for this molecule, now they fail for all and some segfault. Only this runs through cleanly.

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

File:

• molecuilder/src/tesselationhelpers.cpp (modified) (1 diff)

molecuilder/src/tesselationhelpers.cpp

@@ -461 +461 @@
   for (int i=0;i<3;i++)
     for (int j=i+1; j<3; j++) {
-      if (nodes[i]->lines.find(nodes[j]->node->nr) != nodes[i]->lines.end()) {  // there already is a line
+      if (nodes[i] == NULL) {
+        Log() << Verbose(1) << "Node nr. " << i << " is not yet present." << endl;
+        result = true;
+      } else if (nodes[i]->lines.find(nodes[j]->node->nr) != nodes[i]->lines.end()) {  // there already is a line
         LineMap::const_iterator FindLine;
         pair<LineMap::const_iterator,LineMap::const_iterator> FindPair;