Author: bugman
Date: Thu Dec 18 12:25:01 2014
New Revision: 27131
URL: http://svn.gna.org/viewcvs/relax?rev=27131&view=rev
Log:
More simplifications for the structure.atomic_fluctuations user function
backend.
Modified:
trunk/pipe_control/structure/main.py
Modified: trunk/pipe_control/structure/main.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/structure/main.py?rev=27131&r1=27130&r2=27131&view=diff
==============================================================================
--- trunk/pipe_control/structure/main.py (original)
+++ trunk/pipe_control/structure/main.py Thu Dec 18 12:25:01 2014
@@ -262,14 +262,15 @@
# The output file.
output = open_write_file(file, dir=dir, force=force)
- # The header line.
+ # The number of dimensions.
+ n = len(atom_names)
+
+ # The labels as spin ID strings.
labels = []
- for i in range(len(atom_names)):
- # The spin identification string.
+ for i in range(n):
labels.append(generate_spin_id_unique(mol_name=mol_names[i],
res_num=res_nums[i], res_name=res_names[i], spin_name=atom_names[i]))
# Generate the pairwise matrix.
- n = len(atom_names)
matrix = zeros((n, n), float64)
for i in range(n):
for j in range(n):
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