Author: bugman
Date: Thu Sep 4 14:49:54 2014
New Revision: 25621
URL: http://svn.gna.org/viewcvs/relax?rev=25621&view=rev
Log:
The IT99 dispersion model profiling script can now handle the clustering bug.
For relax versions <= 3.2.2, the clustering is turned off as there was a bug in
the IT99 model
target function. The script will print out a warning when this occurs.
Modified:
trunk/test_suite/shared_data/dispersion/profiling/profiling_it99.py
Modified: trunk/test_suite/shared_data/dispersion/profiling/profiling_it99.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/dispersion/profiling/profiling_it99.py?rev=25621&r1=25620&r2=25621&view=diff
==============================================================================
--- trunk/test_suite/shared_data/dispersion/profiling/profiling_it99.py
(original)
+++ trunk/test_suite/shared_data/dispersion/profiling/profiling_it99.py Thu Sep
4 14:49:54 2014
@@ -23,16 +23,20 @@
###############################################################################
# relax module imports.
-from base import cluster, main, NUM_SPINS_CLUSTER, NUM_SPINS_SINGLE, single,
Profile
+from base import cluster, main, NUM_SPINS_CLUSTER, NUM_SPINS_SINGLE, single,
Profile, version_comparison
from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG_SQ, MODEL_IT99
+from version import version
# Setup.
SINGLE = Profile(exp_type=[EXP_TYPE_CPMG_SQ], num_spins=NUM_SPINS_SINGLE,
model=MODEL_IT99, r2=5.0, dw=3.0, pA=0.9, tex=1/1000.0, spins_params=['r2',
'dw', 'pA', 'tex'])
-CLUSTER = Profile(exp_type=[EXP_TYPE_CPMG_SQ], num_spins=NUM_SPINS_CLUSTER,
model=MODEL_IT99, r2=5.0, dw=3.0, pA=0.9, tex=1/1000.0, spins_params=['r2',
'dw', 'pA', 'tex'])
+num_spins = NUM_SPINS_CLUSTER
+if version_comparison(version, '3.2.2') != 1:
+ num_spins = NUM_SPINS_SINGLE
+ print("WARNING: Cluster of only 1 spin analysis, since v. 3.2.2 had a bug
with clustering analysis.")
+CLUSTER = Profile(exp_type=[EXP_TYPE_CPMG_SQ], num_spins=num_spins,
model=MODEL_IT99, r2=5.0, dw=3.0, pA=0.9, tex=1/1000.0, spins_params=['r2',
'dw', 'pA', 'tex'])
# Execute main function.
if __name__ == "__main__":
main()
-
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