r5647 - /1.3/specific_fns/model_free/mf_minimise.py -- April 13, 2008 - 20:25

Author: bugman
Date: Sun Apr 13 20:09:49 2008
New Revision: 5647

URL: http://svn.gna.org/viewcvs/relax?rev=5647&view=rev
Log:
Fixes for the gyromagnetic ratio setup.


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=5647&r1=5646&r2=5647&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/mf_minimise.py (original)
+++ 1.3/specific_fns/model_free/mf_minimise.py Sun Apr 13 20:09:49 2008
@@ -159,6 +159,10 @@
             else:
                 xh_unit_vectors = [None]
 
+            # Gyromagnetic ratios.
+            gx = [return_gyromagnetic_ratio(spin.heteronuc_type)]
+            gh = [return_gyromagnetic_ratio(spin.proton_type)]
+
             # Count the number of model-free parameters for the residue 
index.
             num_params = [len(spin.params)]
 
@@ -190,7 +194,7 @@
                     diff_params = [cdp.diff_tensor.tm, cdp.diff_tensor.Da, 
cdp.diff_tensor.Dr, cdp.diff_tensor.alpha, cdp.diff_tensor.beta, 
cdp.diff_tensor.gamma]
 
             # Initialise the model-free function.
-            mf = Mf(init_params=param_vector, param_set='mf', 
diff_type=diff_type, diff_params=diff_params, num_spins=1, 
equations=[spin.equation], param_types=[spin.params], 
param_values=param_values, relax_data=relax_data, errors=relax_error, 
bond_length=r, csa=csa, num_frq=[spin.num_frq], frq=[spin.frq], 
num_ri=[spin.num_ri], remap_table=[spin.remap_table], 
noe_r1_table=[spin.noe_r1_table], ri_labels=[spin.ri_labels], 
gx=return_gyromagnetic_ratio(spin.heteronuc_type), 
gh=return_gyromagnetic_ratio(spin.proton_type), h_bar=h_bar, mu0=mu0, 
num_params=num_params, vectors=xh_unit_vectors)
+            mf = Mf(init_params=param_vector, param_set='mf', 
diff_type=diff_type, diff_params=diff_params, num_spins=1, 
equations=[spin.equation], param_types=[spin.params], 
param_values=param_values, relax_data=relax_data, errors=relax_error, 
bond_length=r, csa=csa, num_frq=[spin.num_frq], frq=[spin.frq], 
num_ri=[spin.num_ri], remap_table=[spin.remap_table], 
noe_r1_table=[spin.noe_r1_table], ri_labels=[spin.ri_labels], gx=gx, gh=gh, 
h_bar=h_bar, mu0=mu0, num_params=num_params, vectors=xh_unit_vectors)
 
             # Chi-squared calculation.
             try: