r24762 - in /branches/r1rho_plotting/specific_analyses/relax_disp: data.py optimisation.py -- July 25, 2014 - 17:50

Author: tlinnet
Date: Fri Jul 25 17:50:33 2014
New Revision: 24762

URL: http://svn.gna.org/viewcvs/relax?rev=24762&view=rev
Log:
Fix for sending the correct data structures to target function, and fix for 
the spin index which is always zero in graph production.

sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho 
analysis with R2_eff as function of Omega_eff.
sr #3138(https://gna.org/support/?3138): Interpolating theta through 
spin-lock offset [Omega], rather than spin-lock field strength [w1].

Modified:
    branches/r1rho_plotting/specific_analyses/relax_disp/data.py
    branches/r1rho_plotting/specific_analyses/relax_disp/optimisation.py

Modified: branches/r1rho_plotting/specific_analyses/relax_disp/data.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/r1rho_plotting/specific_analyses/relax_disp/data.py?rev=24762&r1=24761&r2=24762&view=diff
==============================================================================
--- branches/r1rho_plotting/specific_analyses/relax_disp/data.py        
(original)
+++ branches/r1rho_plotting/specific_analyses/relax_disp/data.py        Fri 
Jul 25 17:50:33 2014
@@ -1820,9 +1820,6 @@
         # Add the file to the results file list.
         add_result_file(type='grace', label='Grace', file=file_path)
 
-        # Add to counter
-        si += 1
-
 
 def plot_disp_curves_interpolate_disp(spin=None, spin_id=None, 
num_points=None, extend=None):
     """Interpolate function for 2D Grace plotting function for the 
dispersion curves.
@@ -2009,9 +2006,6 @@
                 # Convert to a numpy array.
                 spin_lock_offset_new[ei][0][mi] = 
array(spin_lock_offset_new[ei][0][mi], float64)
 
-    # Back calculate R2eff data for the second sets of plots.
-    back_calc = 
specific_analyses.relax_disp.optimisation.back_calc_r2eff(spin=spin, 
spin_id=spin_id, spin_lock_offset=spin_lock_offset_new)
-
     # Number of spectrometer fields.
     fields = [None]
     field_count = 1
@@ -2021,6 +2015,9 @@
 
     # The offset data.
     chemical_shifts, spin_lock_fields_inter, offsets, tilt_angles, 
Delta_omega, w_eff = return_offset_data(spins=[spin], spin_ids=[spin_id], 
field_count=field_count, spin_lock_offset=spin_lock_offset_new, 
fields=spin_lock_nu1)
+
+    # Back calculate R2eff data for the second sets of plots.
+    back_calc = 
specific_analyses.relax_disp.optimisation.back_calc_r2eff(spin=spin, 
spin_id=spin_id, spin_lock_offset=spin_lock_offset_new, 
spin_lock_nu1=spin_lock_fields_inter)
 
     return interpolated_flag, back_calc, spin_lock_offset_new, 
chemical_shifts, spin_lock_fields_inter, offsets, tilt_angles, Delta_omega, 
w_eff
 
@@ -3559,7 +3556,7 @@
             if spin_lock_offset != None:
                 for oi, offset in enumerate(spin_lock_offset[ei][si][mi]):
                     # Assign spin-lock fields to all loaded fields.
-                    fields = cdp.spin_lock_nu1_list
+                    fields = [x for x in cdp.spin_lock_nu1_list if x!=None]
 
                     # Save the fields to list.
                     spin_lock_fields_inter[ei][mi][oi] = fields

Modified: branches/r1rho_plotting/specific_analyses/relax_disp/optimisation.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/r1rho_plotting/specific_analyses/relax_disp/optimisation.py?rev=24762&r1=24761&r2=24762&view=diff
==============================================================================
--- branches/r1rho_plotting/specific_analyses/relax_disp/optimisation.py      
  (original)
+++ branches/r1rho_plotting/specific_analyses/relax_disp/optimisation.py      
  Fri Jul 25 17:50:33 2014
@@ -157,7 +157,7 @@
         spin_lock_nu1 = return_spin_lock_nu1(ref_flag=False)
 
     # Reset the cpmg_frqs if interpolating R1rho models.
-    elif cpmg_frqs == None and spin_lock_nu1 == None and spin_lock_offset != 
None:
+    elif cpmg_frqs == None and spin_lock_offset != None:
         cpmg_frqs = None
         spin_lock_nu1 = spin_lock_fields_inter