Author: bugman
Date: Wed Jul 4 12:04:51 2012
New Revision: 17193
URL: http://svn.gna.org/viewcvs/relax?rev=17193&view=rev
Log:
Fix for the absolute_rdcs.py system test script.
The signed and signless data are now loaded using the same alignment ID. A
single RDC has been
removed from the test_suite/shared_data/align_data/CaM/synth_rdc_abs RDC file
which is negative in
the corresponding synth_rdc file. The signed RDCs are first loaded followed
by the signless RDCs
which overwrite the original RDCs - all except for the single negative value
with the absolute flag
turned off. The single negative RDC allows the tensor negative and positive
lobes to be defined.
Modified:
branches/absolute_rdc/test_suite/shared_data/align_data/CaM/synth_rdc_abs
branches/absolute_rdc/test_suite/system_tests/scripts/n_state_model/absolute_rdcs.py
Modified:
branches/absolute_rdc/test_suite/shared_data/align_data/CaM/synth_rdc_abs
URL:
http://svn.gna.org/viewcvs/relax/branches/absolute_rdc/test_suite/shared_data/align_data/CaM/synth_rdc_abs?rev=17193&r1=17192&r2=17193&view=diff
==============================================================================
--- branches/absolute_rdc/test_suite/shared_data/align_data/CaM/synth_rdc_abs
(original)
+++ branches/absolute_rdc/test_suite/shared_data/align_data/CaM/synth_rdc_abs
Wed Jul 4 12:04:51 2012
@@ -1,7 +1,6 @@
:83@N :83@H 5.59633342475
:84@N :84@H 13.31357940769
:85@N :85@H 7.03826972130
-:111@N :111@H 3.39286328073
:112@N :112@H 2.09118060289
:113@N :113@H 11.44314950665
:114@N :114@H 9.06351706695
Modified:
branches/absolute_rdc/test_suite/system_tests/scripts/n_state_model/absolute_rdcs.py
URL:
http://svn.gna.org/viewcvs/relax/branches/absolute_rdc/test_suite/system_tests/scripts/n_state_model/absolute_rdcs.py?rev=17193&r1=17192&r2=17193&view=diff
==============================================================================
---
branches/absolute_rdc/test_suite/system_tests/scripts/n_state_model/absolute_rdcs.py
(original)
+++
branches/absolute_rdc/test_suite/system_tests/scripts/n_state_model/absolute_rdcs.py
Wed Jul 4 12:04:51 2012
@@ -30,7 +30,7 @@
self._execute_uf(uf_name='spin.isotope', isotope='1H', spin_id='@H')
# Load the RDCs (both a signed and absolute value version).
-self._execute_uf(uf_name='rdc.read', align_id='signed', file='synth_rdc',
dir=DATA_PATH, spin_id1_col=1, spin_id2_col=2, data_col=3, error_col=None)
+self._execute_uf(uf_name='rdc.read', align_id='abs', file='synth_rdc',
dir=DATA_PATH, spin_id1_col=1, spin_id2_col=2, data_col=3, error_col=None)
self._execute_uf(uf_name='rdc.read', align_id='abs', file='synth_rdc_abs',
dir=DATA_PATH, spin_id1_col=1, spin_id2_col=2, data_col=3, error_col=None,
absolute=True)
# Set up the model.
r17193 - in /branches/absolute_rdc/test_suite: shared_data/align_data/CaM/ system_tests/scripts/n_state_model/