Author: bugman
Date: Sun Nov 25 20:26:46 2007
New Revision: 3956
URL: http://svn.gna.org/viewcvs/relax?rev=3956&view=rev
Log:
Fixes to generic_fns.diffusion_tensor.fold_angles().
Modified:
1.3/generic_fns/diffusion_tensor.py
Modified: 1.3/generic_fns/diffusion_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/diffusion_tensor.py?rev=3956&r1=3955&r2=3956&view=diff
==============================================================================
--- 1.3/generic_fns/diffusion_tensor.py (original)
+++ 1.3/generic_fns/diffusion_tensor.py Sun Nov 25 20:26:46 2007
@@ -26,6 +26,7 @@
from re import search
# relax module imports.
+from angles import wrap_angles
from data import Data as relax_data_store
import pipes
from relax_errors import RelaxError, RelaxNoPipeError, RelaxNoTensorError,
RelaxTensorError, RelaxUnknownParamCombError, RelaxUnknownParamError
@@ -319,7 +320,7 @@
set(run=run, value=[alpha, beta, gamma], param=['alpha', 'beta', 'gamma'])
-def fold_angles(run=None, sim_index=None):
+def fold_angles(sim_index=None):
"""Wrap the Euler or spherical angles and remove the glide reflection and
translational symmetries.
Wrap the angles such that
@@ -344,10 +345,15 @@
alpha - pi <= alpha_sim <= alpha + pi
beta - pi/2 <= beta_sim <= beta + pi/2
gamma - pi <= gamma_sim <= gamma + pi
+
+
+ @param sim_index: The simulation index. If set to None then the actual
values will be folded
+ rather than the simulation values.
+ @type sim_index: int or None
"""
- # Arguments.
- run = run
+ # Alias the current data pipe.
+ cdp = relax_data_store[relax_data_store.current_pipe]
# Wrap the angles.
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