Changeset 5dba7a for molecuilder/src/builder.cpp

Timestamp:

Mar 12, 2010, 1:16:01 PM (16 years ago)

Author:

Tillmann Crueger <crueger@…>

Children:

d639c7

Parents:

1e0785

Message:

Made the periodentafel use STL-containers instead of custom llists

File:

• molecuilder/src/builder.cpp (modified) (3 diffs)

molecuilder/src/builder.cpp

@@ -1593 +1593 @@
                 }
                 LCList = new LinkedCell(Boundary, 2.*radius);
-                element *elemental = periode->FindElement((const int) atoi(argv[argptr]));
+                const element *elemental = periode->FindElement((atomicNumber_t) atoi(argv[argptr]));
                 FindNonConvexBorder(Boundary, TesselStruct, LCList, radius, NULL);
                 int ranges[NDIM] = {1,1,1};
@@ -2070 +2070 @@
                   int faktor = atoi(argv[argptr++]);
                   int count;
-                  element ** Elements;
+                  const element ** Elements;
                   Vector ** vectors;
                   if (faktor < 1) {
-                    eLog() << Verbose(1) << "Repetition factor mus be greater than 1!" << endl;
+                    eLog() << Verbose(1) << "Repetition factor must be greater than 1!" << endl;
                     faktor = 1;
                   }
@@ -2079 +2079 @@
                   if (mol->AtomCount != 0) {  // if there is more than none
                     count = mol->AtomCount;   // is changed becausing of adding, thus has to be stored away beforehand
-                    Elements = new element *[count];
+                    Elements = new const element *[count];
                     vectors = new Vector *[count];
                     j = 0;