r5202 - /1.3/specific_fns/model_free/mf_minimise.py -- March 23, 2008 - 16:44

Author: bugman
Date: Sun Mar 23 16:44:37 2008
New Revision: 5202

URL: http://svn.gna.org/viewcvs/relax?rev=5202&view=rev
Log:
Completed the gyromagnetic ratio part of the model-free minimise_data_setup() 
method.


Modified:
    1.3/specific_fns/model_free/mf_minimise.py

Modified: 1.3/specific_fns/model_free/mf_minimise.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/mf_minimise.py?rev=5202&r1=5201&r2=5202&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/mf_minimise.py (original)
+++ 1.3/specific_fns/model_free/mf_minimise.py Sun Mar 23 16:44:37 2008
@@ -33,6 +33,7 @@
 from generic_fns.selection import count_spins, exists_mol_res_spin_data, 
return_spin_from_index, spin_loop
 from maths_fns.mf import Mf
 from minfx.generic import generic_minimise
+from physical_constants import return_gyromagnetic_ratio
 from relax_errors import RelaxError, RelaxInfError, RelaxLenError, 
RelaxNaNError, RelaxNoModelError, RelaxNoPdbError, RelaxNoResError, 
RelaxNoSequenceError, RelaxNoTensorError, RelaxNoValueError, 
RelaxNoVectorsError, RelaxNucleusError
 
 
@@ -1130,8 +1131,8 @@
             remap_table = [[0]]
             noe_r1_table = [[None]]
             ri_labels = [[min_options[1]]]
-            gx = []
-            gh = []
+            gx = [return_gyromagnetic_ratio(spin.heteronuc_type)]
+            gh = [return_gyromagnetic_ratio(spin.proton_type)]
             if param_set != 'local_tm' and cdp.diff_tensor.type != 'sphere':
                 xh_unit_vectors = [spin.xh_vect]
             else:
@@ -1176,6 +1177,8 @@
             remap_table.append(spin.remap_table)
             noe_r1_table.append(spin.noe_r1_table)
             ri_labels.append(spin.ri_labels)
+            gx.append(return_gyromagnetic_ratio(spin.heteronuc_type))
+            gh.append(return_gyromagnetic_ratio(spin.proton_type))
             if sim_index == None or param_set == 'diff':
                 r.append(spin.r)
                 csa.append(spin.csa)
@@ -1230,7 +1233,7 @@
             diff_params = [spin.local_tm]
 
         # Return all the data.
-        return relax_data, relax_error, equations, param_types, 
param_values, r, csa, num_frq, frq, num_ri, remap_table, noe_r1_table, 
ri_labels, num_params, xh_unit_vectors, diff_type, diff_params
+        return relax_data, relax_error, equations, param_types, 
param_values, r, csa, num_frq, frq, num_ri, remap_table, noe_r1_table, 
ri_labels, gx, gh, num_params, xh_unit_vectors, diff_type, diff_params
 
 
     def test_grid_size(self, min_options, verbosity=1):