Changeset 53d153 for molecuilder/src/builder.cpp

Timestamp:

Jul 27, 2009, 8:16:03 AM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

0ac84df

Parents:

c3a303

Message:

Split VolumeOfConvexEnvelope() into find_convex_border() and remainder.

• Convex envelope is not working anymore, in the state of fixing it and trying to refactor code a bit.
• planned to have VolumeOfConvexEnvelope() to be replaced by VolumeOfEnvelope(), which can also do Non-Convex-Envelopes

File:

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

molecuilder/src/builder.cpp

@@ -581 +581 @@
       break;
     case 'e':
-      cout << Verbose(0) << "Evaluating volume of the convex envelope.";
-      VolumeOfConvexEnvelope((ofstream *)&cout, NULL, configuration, NULL, mol);
+      {
+        cout << Verbose(0) << "Evaluating volume of the convex envelope.";
+        LinkedCell LCList(mol, 10.);
+        class Tesselation *TesselStruct = NULL;
+        Find_convex_border((ofstream *)&cout, mol, TesselStruct, &LCList, NULL);
+        double clustervolume = VolumeOfConvexEnvelope((ofstream *)&cout, TesselStruct, configuration);
+        delete(TesselStruct);
+      }
       break;
     case 'f':
@@ -1807 +1813 @@
                 cout << Verbose(0) << "Evaluating volume of the convex envelope.";
                 cout << Verbose(1) << "Storing tecplot data in " << argv[argptr] << "." << endl;
-                VolumeOfConvexEnvelope((ofstream *)&cout, argv[argptr], &configuration, NULL, mol);
+                LinkedCell LCList(mol, 10.);
+                class Tesselation *TesselStruct = NULL;
+                Find_convex_border((ofstream *)&cout, mol, TesselStruct, &LCList, NULL);
+                double clustervolume = VolumeOfConvexEnvelope((ofstream *)&cout, TesselStruct, &configuration);
+                delete(TesselStruct);
                 argptr+=1;
               }