Author: bugman
Date: Tue Mar 10 18:36:55 2015
New Revision: 27804
URL: http://svn.gna.org/viewcvs/relax?rev=27804&view=rev
Log:
Improvements for the pcs.structural_noise user function.
The check for the presence of PCS data for points to skip now includes checking
for PCS values of
None. And the output Grace file now also includes the spin ID string as a
string or comment value
which can be displayed in the plot when desired.
Modified:
trunk/pipe_control/pcs.py
Modified: trunk/pipe_control/pcs.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/pcs.py?rev=27804&r1=27803&r2=27804&view=diff
==============================================================================
--- trunk/pipe_control/pcs.py (original)
+++ trunk/pipe_control/pcs.py Tue Mar 10 18:36:55 2015
@@ -1147,7 +1147,7 @@
align_index = 0
for id in align_ids:
# No PCS value, so skip.
- if id not in spin.pcs:
+ if id not in spin.pcs or spin.pcs[id] == None:
align_index += 1
continue
@@ -1166,7 +1166,7 @@
spin.pcs_err[id] = sqrt(spin.pcs_err[id]**2 + sd**2)
# Store the data for the Grace plot.
- grace_data[align_index].append([orig_r, sd])
+ grace_data[align_index].append([orig_r, sd, spin_id])
# Increment the alignment index.
align_index += 1
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