r22846 - in /trunk/specific_analyses/relax_disp: parameters.py variables.py -- April 24, 2014 - 15:18

Author: bugman
Date: Thu Apr 24 15:18:55 2014
New Revision: 22846

URL: http://svn.gna.org/viewcvs/relax?rev=22846&view=rev
Log:
Created the new specific_analyses.relax_disp.variables.PARAMS_R20 list.

This variable is a list of all R20 parameters of the dispersion models.  It 
has been shifted out of
the parameters module.


Modified:
    trunk/specific_analyses/relax_disp/parameters.py
    trunk/specific_analyses/relax_disp/variables.py

Modified: trunk/specific_analyses/relax_disp/parameters.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/parameters.py?rev=22846&r1=22845&r2=22846&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/parameters.py    (original)
+++ trunk/specific_analyses/relax_disp/parameters.py    Thu Apr 24 15:18:55 
2014
@@ -34,7 +34,7 @@
 from pipe_control import pipes
 from pipe_control.mol_res_spin import exists_mol_res_spin_data, return_spin
 from specific_analyses.relax_disp.data import count_spins, generate_r20_key, 
has_exponential_exp_type, loop_cluster, loop_exp_frq
-from specific_analyses.relax_disp.variables import MODEL_LIST_MMQ, 
MODEL_M61B, MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR, 
MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR
+from specific_analyses.relax_disp.variables import MODEL_LIST_MMQ, 
MODEL_M61B, MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR, 
MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR, PARAMS_R20
 
 
 def assemble_param_vector(spins=None, key=None, sim_index=None):
@@ -900,14 +900,13 @@
             raise RelaxError("The number of parameters for each spin in the 
cluster are not the same.")
 
     # Count the number of R20 parameters.
-    r20_params = ['r2', 'r2a', 'r2b']
     for spin in spins:
         # Skip deselected spins.
         if not spin.select:
             continue
 
         for i in range(len(spin.params)):
-            if spin.params[i] in r20_params:
+            if spin.params[i] in PARAMS_R20:
                 for exp_type, frq in loop_exp_frq():
                     num += 1
 
@@ -923,7 +922,7 @@
                 num += 1
 
     # Count all other parameters, but only for a single spin.
-    all_params = r20_params + spin_params
+    all_params = PARAMS_R20 + spin_params
     for spin in spins:
         # Skip deselected spins.
         if not spin.select:

Modified: trunk/specific_analyses/relax_disp/variables.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/variables.py?rev=22846&r1=22845&r2=22846&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/variables.py     (original)
+++ trunk/specific_analyses/relax_disp/variables.py     Thu Apr 24 15:18:55 
2014
@@ -164,6 +164,9 @@
 MODEL_NS_MMQ_3SITE_LINEAR = 'NS MMQ 3-site linear'
 MODEL_DESC_NS_MMQ_3SITE_LINEAR = "The numerical solution for the 3-site 
Bloch-McConnell equations for MMQ CPMG experiments, linearised with kAC = kCA 
= 0 and whereby the simplification R20A = R20B = R20C is assumed."
 MODEL_PARAMS_NS_MMQ_3SITE_LINEAR = ['r2', 'pA', 'dw_AB', 'dwH_AB', 'kex_AB', 
'pB', 'dw_BC', 'dwH_BC', 'kex_BC']
+
+# The parameters.
+PARAMS_R20 = ['r2', 'r2a', 'r2b']
 
 
 # The model lists.