r23073 - /trunk/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py -- May 08, 2014 - 01:55

Author: tlinnet
Date: Thu May  8 01:55:07 2014
New Revision: 23073

URL: http://svn.gna.org/viewcvs/relax?rev=23073&view=rev
Log:
Added functionality of the visualising the spin dynamics point which 
generated the data.

This is to the script, which can visualize the synthetic CPMG data.

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/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py

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=23073&r1=23072&r2=23073&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  Thu 
May  8 01:55:07 2014
@@ -306,6 +306,28 @@
 
 print("Did following number of iterations: %i"%i)
 
+# Do a dx map.
+# To map the hypersurface of chi2, when altering kex, dw and pA.
+if ds.opendx:
+    # First switch pipe, since dx.map will go through parameters and end up 
a "bad" place. :-)
+    pipe_name_MODEL_MAP = "%s_%s_map"%(pipe_name, model_analyse)
+    pipe.copy(pipe_from=pipe_name_r2eff, pipe_to=pipe_name_MODEL_MAP, 
bundle_to = pipe_bundle)
+    pipe.switch(pipe_name=pipe_name_MODEL_MAP)
+
+    dx_params = ['dw', 'pA', 'kex']
+    for cur_spin, mol_name, resi, resn, spin_id in spin_loop(full_info=True, 
return_id=True, skip_desel=True):
+        cur_spin_id = spin_id
+        dx_point = []
+        for dx_param in dx_params:
+            set_val = getattr(cur_spin, dx_param)
+            dx_point.append( set_val )
+
+        file_name_map = "map%s" % (cur_spin_id .replace('#', 
'_').replace(':', '_').replace('@', '_'))
+        file_name_point = "point%s" % (cur_spin_id .replace('#', 
'_').replace(':', '_').replace('@', '_'))
+        dx.map(params=dx_params, map_type='Iso3D', spin_id=":1@N", 
inc=ds.dx_inc, lower=None, upper=None, axis_incs=5, 
file_prefix=file_name_map, dir=ds.resdir, point=dx_point, 
point_file=file_name_point, remap=None)
+        #vp_exec:  A flag specifying whether to execute the visual program 
automatically at start-up.
+        #dx.execute(file_prefix=file_name, dir=ds.resdir, dx_exe='dx', 
vp_exec=True)
+
 # Now do fitting.
 
 # Change pipe.
@@ -320,16 +342,6 @@
 relax_disp.select_model(model=model_analyse)
 
 print("Analysing with MODEL:%s."%(model_analyse))
-
-# Do a dx map.
-# To map the hypersurface of chi2, when altering kex, dw and pA.
-if ds.opendx:
-    for cur_spin, mol_name, resi, resn, spin_id in spin_loop(full_info=True, 
return_id=True, skip_desel=True):
-        cur_spin_id = spin_id
-        file_name = "map%s" % (cur_spin_id .replace('#', '_').replace(':', 
'_').replace('@', '_'))
-        dx.map(params=['dw', 'pA', 'kex'], map_type='Iso3D', spin_id=":1@N", 
inc=ds.dx_inc, lower=None, upper=None, axis_incs=5, file_prefix=file_name, 
dir=ds.resdir, point=None, point_file='point', remap=None)
-        #vp_exec:  A flag specifying whether to execute the visual program 
automatically at start-up.
-        #dx.execute(file_prefix=file_name, dir=ds.resdir, dx_exe='dx', 
vp_exec=True)
 
 # Remove insignificant
 relax_disp.insignificance(level=ds.insignificance)