Author: bugman Date: Wed Jul 23 13:36:31 2008 New Revision: 6945 URL: http://svn.gna.org/viewcvs/relax?rev=6945&view=rev Log: Fixes for the alignment tensor gradient function code. Modified: branches/rdc_analysis/maths_fns/alignment_tensor.py Modified: branches/rdc_analysis/maths_fns/alignment_tensor.py URL: http://svn.gna.org/viewcvs/relax/branches/rdc_analysis/maths_fns/alignment_tensor.py?rev=6945&r1=6944&r2=6945&view=diff ============================================================================== --- branches/rdc_analysis/maths_fns/alignment_tensor.py (original) +++ branches/rdc_analysis/maths_fns/alignment_tensor.py Wed Jul 23 13:36:31 2008 @@ -9,7 +9,7 @@ # the Free Software Foundation; either version 2 of the License, or # # (at your option) any later version. # # # -# relax is distributed in the hope that it will be useful, # +# relax is distributed in the hope that it will be useful; # # but WITHOUT ANY WARRANTY; without even the implied warranty of # # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # # GNU General Public License for more details. # @@ -42,9 +42,9 @@ """ # Set all elements. - A[0,0] = 1.0, A[0,1] = 0.0, A[0,2] = 0.0 - A[1,0] = 0.0, A[1,1] = 0.0, A[1,2] = 0.0 - A[2,0] = 0.0, A[2,1] = 0.0, A[2,2] = -1.0 + A[0,0] = 1.0; A[0,1] = 0.0; A[0,2] = 0.0 + A[1,0] = 0.0; A[1,1] = 0.0; A[1,2] = 0.0 + A[2,0] = 0.0; A[2,1] = 0.0; A[2,2] = -1.0 def dAi_dAyy(A): @@ -62,9 +62,9 @@ """ # Set all elements. - A[0,0] = 0.0, A[0,1] = 0.0, A[0,2] = 0.0 - A[1,0] = 0.0, A[1,1] = 1.0, A[1,2] = 0.0 - A[2,0] = 0.0, A[2,1] = 0.0, A[2,2] = -1.0 + A[0,0] = 0.0; A[0,1] = 0.0; A[0,2] = 0.0 + A[1,0] = 0.0; A[1,1] = 1.0; A[1,2] = 0.0 + A[2,0] = 0.0; A[2,1] = 0.0; A[2,2] = -1.0 def dAi_dAxy(A): @@ -82,9 +82,9 @@ """ # Set all elements. - A[0,0] = 0.0, A[0,1] = 1.0, A[0,2] = 0.0 - A[1,0] = 1.0, A[1,1] = 0.0, A[1,2] = 0.0 - A[2,0] = 0.0, A[2,1] = 0.0, A[2,2] = 0.0 + A[0,0] = 0.0; A[0,1] = 1.0; A[0,2] = 0.0 + A[1,0] = 1.0; A[1,1] = 0.0; A[1,2] = 0.0 + A[2,0] = 0.0; A[2,1] = 0.0; A[2,2] = 0.0 def dAi_dAxz(A): @@ -102,9 +102,9 @@ """ # Set all elements. - A[0,0] = 0.0, A[0,1] = 0.0, A[0,2] = 1.0 - A[1,0] = 0.0, A[1,1] = 0.0, A[1,2] = 0.0 - A[2,0] = 1.0, A[2,1] = 0.0, A[2,2] = 0.0 + A[0,0] = 0.0; A[0,1] = 0.0; A[0,2] = 1.0 + A[1,0] = 0.0; A[1,1] = 0.0; A[1,2] = 0.0 + A[2,0] = 1.0; A[2,1] = 0.0; A[2,2] = 0.0 def dAi_dAyz(A): @@ -122,9 +122,9 @@ """ # Set all elements. - A[0,0] = 0.0, A[0,1] = 0.0, A[0,2] = 0.0 - A[1,0] = 0.0, A[1,1] = 0.0, A[1,2] = 1.0 - A[2,0] = 0.0, A[2,1] = 1.0, A[2,2] = 0.0 + A[0,0] = 0.0; A[0,1] = 0.0; A[0,2] = 0.0 + A[1,0] = 0.0; A[1,1] = 0.0; A[1,2] = 1.0 + A[2,0] = 0.0; A[2,1] = 1.0; A[2,2] = 0.0 def maxA(tensor):