Changeset a68d44 for molecuilder/src/builder.cpp

Timestamp:

Nov 26, 2009, 11:40:01 AM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

2c0e4e, 9600a7

Parents:

013ad57

Message:

removing automatic dissection on loading, Tesselations test now checks for return value only not for precise order of the triangles.

• FindNonConvexBorder() returns bool depending on the result of CheckListOfBaselines()
• BUG: ParseCommandLineOptions(): case 'p' (parsing) does not dissect the molecule, as we have to wait for e.g. '-A' before we may use the bond structure. Same for config::Load()

File:

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

molecuilder/src/builder.cpp

@@ -1574 +1574 @@
                 else {
                   Log() << Verbose(2) << "File found and parsed." << endl;
-                  mol->SetNameFromFilename(argv[argptr]);
-                  molecules->ListOfMolecules.remove(mol);
-                  molecules->DissectMoleculeIntoConnectedSubgraphs(mol,&configuration);
-                  delete(mol);
-                  if (molecules->ListOfMolecules.size() != 0) {
-                    for (MoleculeList::iterator ListRunner = molecules->ListOfMolecules.begin(); ListRunner != molecules->ListOfMolecules.end(); ListRunner++)
-                      if ((*ListRunner)->ActiveFlag) {
-                        mol = *ListRunner;
-                        break;
-                      }
-                  }
+                  // @TODO rather do the dissection afterwards
+//                  mol->SetNameFromFilename(argv[argptr]);
+//                  molecules->ListOfMolecules.remove(mol);
+//                  molecules->DissectMoleculeIntoConnectedSubgraphs(mol,&configuration);
+//                  delete(mol);
+//                  if (molecules->ListOfMolecules.size() != 0) {
+//                    for (MoleculeList::iterator ListRunner = molecules->ListOfMolecules.begin(); ListRunner != molecules->ListOfMolecules.end(); ListRunner++)
+//                      if ((*ListRunner)->ActiveFlag) {
+//                        mol = *ListRunner;
+//                        break;
+//                      }
+//                  }
                   configPresent = present;
                 }
@@ -1803 +1804 @@
                 start = clock();
                 LCList = new LinkedCell(Boundary, atof(argv[argptr])*2.);
-                FindNonConvexBorder(Boundary, T, LCList, atof(argv[argptr]), argv[argptr+1]);
+                if (!FindNonConvexBorder(Boundary, T, LCList, atof(argv[argptr]), argv[argptr+1]))
+                  ExitFlag = 255;
                 //FindDistributionOfEllipsoids(T, &LCList, N, number, filename.c_str());
                 end = clock();