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() -