Changeset 09d3b8 for molecuilder/src/boundary.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/boundary.cpp (modified) (2 diffs)

molecuilder/src/boundary.cpp

@@ -994 +994 @@
   while ((baseline != TesselStruct->LinesOnBoundary.end()) || (OneLoopWithoutSuccessFlag)) {
     if (baseline->second->triangles.size() == 1) {
+      CheckListOfBaselines(TesselStruct);
       // 3. find next triangle
       TesselationFailFlag = TesselStruct->FindNextSuitableTriangle(*(baseline->second), *(((baseline->second->triangles.begin()))->second), RADIUS, LCList); //the line is there, so there is a triangle, but only one.
       OneLoopWithoutSuccessFlag = OneLoopWithoutSuccessFlag || TesselationFailFlag;
       if (!TesselationFailFlag)
-        eLog() << Verbose(0) << "WARNING: FindNextSuitableTriangle failed." << endl;
+        eLog() << Verbose(2) << "FindNextSuitableTriangle failed." << endl;
 
       // write temporary envelope
@@ -1006 +1007 @@
         }
       }
-      baseline = TesselStruct->LinesOnBoundary.end();
-      Log() << Verbose(2) << "Baseline set to end." << endl;
+      if (TesselationFailFlag) {
+        baseline = TesselStruct->LinesOnBoundary.begin();
+        OneLoopWithoutSuccessFlag = false;
+        Log() << Verbose(2) << "Baseline set to begin." << endl;
+      }
     } else {
       //Log() << Verbose(1) << "Line " << *baseline->second << " has " << baseline->second->triangles.size() << " triangles adjacent" << endl;
       if (baseline->second->triangles.size() != 2)
-        Log() << Verbose(1) << "ERROR: TESSELATION FINISHED WITH INVALID TRIANGLE COUNT!" << endl;
+        eLog() << Verbose(1) << "TESSELATION FINISHED WITH INVALID TRIANGLE COUNT!" << endl;
     }