r23060 - in /trunk: lib/dispersion/b14.py test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py -- May 07, 2014 - 16:30

Author: tlinnet
Date: Wed May  7 16:30:55 2014
New Revision: 23060

URL: http://svn.gna.org/viewcvs/relax?rev=23060&view=rev
Log:
Reverted r23059 as this was to much commit message.

The command used was:
svn merge -r23059:r23058 .

.....
    Speed-up by removing integer to float conversion.

    sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin 
(2014) B14 model - 2-site exact solution model for all time scales.

    This follows the tutorial for adding relaxation dispersion models at:
    
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Debugging
.....


Modified:
    trunk/lib/dispersion/b14.py
    trunk/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py

Modified: trunk/lib/dispersion/b14.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/b14.py?rev=23060&r1=23059&r2=23060&view=diff
==============================================================================
--- trunk/lib/dispersion/b14.py (original)
+++ trunk/lib/dispersion/b14.py Wed May  7 16:30:55 2014
@@ -155,8 +155,8 @@
 
     # The Carver and Richards (1972) alpha_minus short notation.
     alpha_m = deltaR2 + k_AB - k_BA
-    zeta = 2.0 * dw * alpha_m
-    Psi = alpha_m**2 + 4.0 * k_BA * k_AB - dw**2
+    zeta = 2 * dw * alpha_m
+    Psi = alpha_m**2 + 4 * k_BA * k_AB - dw**2
 
     # Repetitive calculations (to speed up calculations).
     dw2 = dw**2

Modified: trunk/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py?rev=23060&r1=23059&r2=23060&view=diff
==============================================================================
--- trunk/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py  
(original)
+++ trunk/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py  Wed 
May  7 16:30:55 2014
@@ -11,24 +11,15 @@
 from data_store import Relax_data_store; ds = Relax_data_store()
 from pipe_control.mol_res_spin import return_spin
 from specific_analyses.relax_disp.data import generate_r20_key, 
loop_exp_frq, loop_offset_point
+from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG_SQ, 
MODEL_PARAMS
 from specific_analyses.relax_disp import optimisation
 from status import Status; status = Status()
-# The variables already defined in relax.
-from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG_SQ, 
MODEL_PARAMS
-# Analytical
-from specific_analyses.relax_disp.variables import MODEL_CR72, MODEL_IT99, 
MODEL_TSMFK01, MODEL_B14
-# Analytical full
-from specific_analyses.relax_disp.variables import MODEL_CR72_FULL, 
MODEL_B14_FULL
-# NS
-from specific_analyses.relax_disp.variables import MODEL_NS_CPMG_2SITE_3D, 
MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_EXPANDED
-# NS full
-from specific_analyses.relax_disp.variables import 
MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR_FULL
 
 # Analysis variables.
 #####################
 # The dispersion model to test.
 if not hasattr(ds, 'data'):
-    model_create = "CR72"
+    model = "CR72"
 
     ## Experiments
     # Exp 1