Author: bugman
Date: Mon Feb 9 15:29:08 2015
New Revision: 27611
URL: http://svn.gna.org/viewcvs/relax?rev=27611&view=rev
Log:
Bug fix for the frame order specific analysis API base_data_loop() method.
This was looping over non-existent PCS and RDC data. Now the alignment ID is
checked for in the
interatomic data container 'rdc' data structure and the spin container 'pcs'
data structure, as well
as values of None, before yielding the data.
Modified:
branches/frame_order_cleanup/specific_analyses/frame_order/api.py
Modified: branches/frame_order_cleanup/specific_analyses/frame_order/api.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/frame_order/api.py?rev=27611&r1=27610&r2=27611&view=diff
==============================================================================
--- branches/frame_order_cleanup/specific_analyses/frame_order/api.py
(original)
+++ branches/frame_order_cleanup/specific_analyses/frame_order/api.py Mon Feb
9 15:29:08 2015
@@ -96,7 +96,8 @@
# Loop over the alignment IDs.
for align_id in cdp.rdc_ids:
# Yield the info set.
- yield ['rdc', interatom.spin_id1, interatom.spin_id2, align_id]
+ if align_id in interatom.rdc and interatom.rdc[align_id] !=
None:
+ yield ['rdc', interatom.spin_id1, interatom.spin_id2,
align_id]
# Loop over the spin containers for the moving domain (for the PCS
data).
for spin, spin_id in spin_loop(selection=domain_moving(),
return_id=True):
@@ -111,7 +112,8 @@
# Loop over the alignment IDs.
for align_id in cdp.pcs_ids:
# Yield the info set.
- yield ['pcs', spin_id, align_id]
+ if align_id in spin.pcs and spin.pcs[align_id] != None:
+ yield ['pcs', spin_id, align_id]
def calculate(self, spin_id=None, scaling_matrix=None, verbosity=1,
sim_index=None):
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