Changeset 4283d0 for molecuilder/src

Timestamp:

Apr 12, 2010, 4:45:07 PM (15 years ago)

Author:

Frederik Heber <heber@…>

Children:

35bab2

Parents:

a732ff

Message:

FIX: changed the order in which triangles are picked next during tesselation.

• FindNonConvexBorder(): we do a check based on AngleFromTop. We always want AngleFromTop to be smaller than the Runner's ShortestAngle. If then no open line can be found, we discard this criteria.
• FindNonConvexBorder(): also we store initial starting triangle if DoSingleStepOutput

File:

• molecuilder/src/boundary.cpp (modified) (2 diffs)

molecuilder/src/boundary.cpp

@@ -983 +983 @@
   // 1. get starting triangle
   TesselStruct->FindStartingTriangle(RADIUS, LCList);
+  if (filename != NULL) {
+    if ((DoSingleStepOutput && ((TesselStruct->TrianglesOnBoundary.size() % SingleStepWidth == 0)))) { // if we have a new triangle and want to output each new triangle configuration
+      TesselStruct->Output(filename, mol);
+    }
+  }
 
   // 2. expand from there
@@ -1009 +1014 @@
     double ShortestAngle = 4.*M_PI;
     for (CandidateMap::iterator Runner = TesselStruct->OpenLines.begin(); Runner != TesselStruct->OpenLines.end(); Runner++) {
-      if (Runner->second->ShortestAngle < ShortestAngle) {
-        baseline = Runner->second;
-        ShortestAngle = baseline->ShortestAngle;
-        //Log() << Verbose(1) << "New best candidate is " << *baseline->BaseLine << " with point " << *baseline->point << " and angle " << baseline->ShortestAngle << endl;
+      if (Runner->second->T->AngleFromTop < Runner->second->ShortestAngle) {
+        Log() << Verbose(1) << "INFO: Checking candidate is " << *Runner->second->BaseLine << " with point " << *(*Runner->second->pointlist.begin()) << " and angle " << Runner->second->ShortestAngle << endl;
+        if (Runner->second->ShortestAngle < ShortestAngle) {
+          baseline = Runner->second;
+          ShortestAngle = baseline->ShortestAngle;
+          Log() << Verbose(1) << "New best candidate is " << *baseline->BaseLine << " with point " << *(*baseline->pointlist.begin()) << " and angle " << baseline->ShortestAngle << endl;
+        }
+      } else {
+        Log() << Verbose(1) << "Rejecting openline " << *Runner->second->BaseLine << " with point " << *(*Runner->second->pointlist.begin()) << " and angle " << Runner->second->ShortestAngle << " against angle from top " << Runner->second->T->AngleFromTop << "." << endl;
       }
     }
+    if ((ShortestAngle == 4.*M_PI) || (baseline->pointlist.empty()))
+      for (CandidateMap::iterator Runner = TesselStruct->OpenLines.begin(); Runner != TesselStruct->OpenLines.end(); Runner++) {
+        if (Runner->second->ShortestAngle < ShortestAngle) {
+          baseline = Runner->second;
+          ShortestAngle = baseline->ShortestAngle;
+          Log() << Verbose(1) << "New best candidate is " << *baseline->BaseLine << " with point " << *(*baseline->pointlist.begin()) << " and angle " << baseline->ShortestAngle << endl;
+        }
+      }
     // 2e. if we found one, add candidate
     if ((ShortestAngle == 4.*M_PI) || (baseline->pointlist.empty()))