mailRe: r24946 - /branches/R1_fitting/test_suite/system_tests/relax_disp.py


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Posted by Edward d'Auvergne on August 18, 2014 - 11:05:
Hi,

If all the MODEL_NOREX* models are merged into a single MODEL_NOREX
model, then this change is not required.  This reflects what the user
would also see - i.e. no change while magically having the support for
the correct behaviour :)

Cheers,

Edward


On 4 August 2014 19:22,  <tlinnet@xxxxxxxxxxxxx> wrote:
Author: tlinnet
Date: Mon Aug  4 19:22:13 2014
New Revision: 24946

URL: http://svn.gna.org/viewcvs/relax?rev=24946&view=rev
Log:
Made the model "MODEL_NOREX_R1RHO", be testes in systemtest 
Relax_disp.test_r1rho_kjaergaard_auto.

This is for systemtest where R1 has been loaded from earlier results, which 
was not analysed in relax.

bug #22440(https://gna.org/bugs/?22440): The "NOREX" model is not covering 
R1rho models.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation 
rate for the off-resonance R1rho relaxation dispersion models.

Modified:
    branches/R1_fitting/test_suite/system_tests/relax_disp.py

Modified: branches/R1_fitting/test_suite/system_tests/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/R1_fitting/test_suite/system_tests/relax_disp.py?rev=24946&r1=24945&r2=24946&view=diff
==============================================================================
--- branches/R1_fitting/test_suite/system_tests/relax_disp.py   (original)
+++ branches/R1_fitting/test_suite/system_tests/relax_disp.py   Mon Aug  4 
19:22:13 2014
@@ -35,7 +35,7 @@
 from pipe_control.mol_res_spin import return_spin, spin_loop
 from specific_analyses.relax_disp.data import generate_r20_key, 
get_curve_type, has_r1rho_exp_type, loop_exp_frq, 
loop_exp_frq_offset_point, return_grace_file_name_ini, 
return_param_key_from_data
 from specific_analyses.relax_disp.data import INTERPOLATE_DISP, 
INTERPOLATE_OFFSET, X_AXIS_DISP, X_AXIS_W_EFF, X_AXIS_THETA, 
Y_AXIS_R2_R1RHO, Y_AXIS_R2_EFF
-from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG_DQ, 
EXP_TYPE_CPMG_MQ, EXP_TYPE_CPMG_PROTON_MQ, EXP_TYPE_CPMG_PROTON_SQ, 
EXP_TYPE_CPMG_SQ, EXP_TYPE_CPMG_ZQ, EXP_TYPE_R1RHO, MODEL_B14_FULL, 
MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_DPL94_FIT_R1, MODEL_IT99, 
MODEL_LM63, MODEL_M61B, MODEL_NOREX, MODEL_NOREX_R1RHO_FIT_R1, 
MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, 
MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_PARAMS, MODEL_R2EFF
+from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG_DQ, 
EXP_TYPE_CPMG_MQ, EXP_TYPE_CPMG_PROTON_MQ, EXP_TYPE_CPMG_PROTON_SQ, 
EXP_TYPE_CPMG_SQ, EXP_TYPE_CPMG_ZQ, EXP_TYPE_R1RHO, MODEL_B14_FULL, 
MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_DPL94_FIT_R1, MODEL_IT99, 
MODEL_LM63, MODEL_M61B, MODEL_NOREX, MODEL_NOREX_R1RHO, 
MODEL_NOREX_R1RHO_FIT_R1, MODEL_NS_CPMG_2SITE_3D_FULL, 
MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_PARAMS, 
MODEL_R2EFF
 from status import Status; status = Status()
 from test_suite.system_tests.base_classes import SystemTestCase

@@ -4867,7 +4867,7 @@
         self.assert_(hasattr(cdp.mol[0].res[42].spin[0], 'ri_data'))

         # The dispersion models.
-        MODELS = [MODEL_R2EFF, MODEL_NOREX, MODEL_DPL94]
+        MODELS = [MODEL_R2EFF, MODEL_NOREX_R1RHO, MODEL_DPL94]

         # The grid search size (the number of increments per dimension).
         GRID_INC = 4


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