Author: bugman
Date: Mon Mar 2 18:13:09 2015
New Revision: 27733
URL: http://svn.gna.org/viewcvs/relax?rev=27733&view=rev
Log:
Big bug fix for the pipe_control.interatomic.interatomic_loop() function.
This was identified in the Rdc.test_rdc_copy_different_spins system test. The
problem was that the
pipe argument was being ignored when looking up the spin containers. Hence if
the pipe being worked
on was not the current data pipe, and the spin sequences were not identical,
the function would
fail. This mainly affects the rdc.copy user function.
Modified:
trunk/pipe_control/interatomic.py
Modified: trunk/pipe_control/interatomic.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/interatomic.py?rev=27733&r1=27732&r2=27733&view=diff
==============================================================================
--- trunk/pipe_control/interatomic.py (original)
+++ trunk/pipe_control/interatomic.py Mon Mar 2 18:13:09 2015
@@ -1,6 +1,6 @@
###############################################################################
# #
-# Copyright (C) 2012-2014 Edward d'Auvergne #
+# Copyright (C) 2012-2015 Edward d'Auvergne #
# #
# This file is part of the program relax (http://www.nmr-relax.com). #
# #
@@ -448,14 +448,14 @@
# Aliases.
interatom = dp.interatomic[i]
- mol_index1, res_index1, spin_index1 =
cdp.mol._spin_id_lookup[interatom.spin_id1]
- mol_index2, res_index2, spin_index2 =
cdp.mol._spin_id_lookup[interatom.spin_id2]
- mol1 = cdp.mol[mol_index1]
- res1 = cdp.mol[mol_index1].res[res_index1]
- spin1 = cdp.mol[mol_index1].res[res_index1].spin[spin_index1]
- mol2 = cdp.mol[mol_index2]
- res2 = cdp.mol[mol_index2].res[res_index2]
- spin2 = cdp.mol[mol_index2].res[res_index2].spin[spin_index2]
+ mol_index1, res_index1, spin_index1 =
dp.mol._spin_id_lookup[interatom.spin_id1]
+ mol_index2, res_index2, spin_index2 =
dp.mol._spin_id_lookup[interatom.spin_id2]
+ mol1 = dp.mol[mol_index1]
+ res1 = dp.mol[mol_index1].res[res_index1]
+ spin1 = dp.mol[mol_index1].res[res_index1].spin[spin_index1]
+ mol2 = dp.mol[mol_index2]
+ res2 = dp.mol[mol_index2].res[res_index2]
+ spin2 = dp.mol[mol_index2].res[res_index2].spin[spin_index2]
# The different selection combinations.
if select_obj:
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