mailr5646 - /1.3/specific_fns/model_free/mf_minimise.py


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Posted by edward on April 13, 2008 - 20:25:
Author: bugman
Date: Sun Apr 13 20:08:10 2008
New Revision: 5646

URL: http://svn.gna.org/viewcvs/relax?rev=5646&view=rev
Log:
Fix for the initialisation of the maths_fns.mf.Mf class.


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=5646&r1=5645&r2=5646&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/mf_minimise.py (original)
+++ 1.3/specific_fns/model_free/mf_minimise.py Sun Apr 13 20:08:10 2008
@@ -190,7 +190,7 @@
                     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_res=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=relax_data_store.gx, gh=relax_data_store.gh, 
g_ratio=relax_data_store.g_ratio, h_bar=relax_data_store.h_bar, 
mu0=relax_data_store.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=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)
 
             # Chi-squared calculation.
             try:




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