Changeset 4737be

Timestamp:

Jan 31, 2010, 5:52:07 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

c4ebad

Parents:

961e9c

Message:

FIX: NanoCreator - Aligment of Sheet and Tube are corrected.

• the angle was in both cases: -angle instead of angle. (This probably due to earlier mishaps, now it has been easy to fix)
• Alignments were tested (visually) on all (12,m) and are correct, also for torus.

File:

• util/src/NanoCreator.c (modified) (2 diffs)

util/src/NanoCreator.c

@@ -943 +943 @@
       x1 = fabs(gsl_vector_get(u,0));
       x2 = fabs(gsl_vector_get(u,1));
-      fprintf(stdout, "(c,d) = (%lg,%lg)\n",((int)(x1+x1/fabs(x1)*.5)), ((int)(x2+x2/fabs(x2)*.5)));
+      fprintf(stdout, "(c,d) = (%d,%d)\n",((int)(x1+x1/fabs(x1)*.5)), ((int)(x2+x2/fabs(x2)*.5)));
       j = GCD(((int)(x1+x1/fabs(x1)*.5)), ((int)(x2+x2/fabs(x2)*.5)));
       fprintf(stdout, "GCD(%d,%d) = %i", ((int)(x1+x1/fabs(x1)*.5)), ((int)(x2+x2/fabs(x2)*.5)), j);
@@ -1439 +1439 @@
       fprintf(TubeFile, "%s\t%lg\t%lg\t%lg\n", name, atom_transformed[0], atom_transformed[1], atom_transformed[2]);
       // rotate and flip to align tube in z-direction
-      x1 = atom_transformed[0]*cos(-angle) + atom_transformed[1] * sin(-angle);
-      x2 = atom_transformed[0]*(-sin(-angle)) + atom_transformed[1] * cos(-angle);
+      x1 = atom_transformed[0]*cos(angle) + atom_transformed[1] * sin(angle);
+      x2 = atom_transformed[0]*(-sin(angle)) + atom_transformed[1] * cos(angle);
       x3 = atom_transformed[2];
       fprintf(TubeFileAligned, "%s\t%lg\t%lg\t%lg\n", name, x3, x2, x1);  // order so that symmetry is along z axis