Author: bugman
Date: Sun Mar 23 19:19:28 2008
New Revision: 5227
URL: http://svn.gna.org/viewcvs/relax?rev=5227&view=rev
Log:
The gyromagnetic ratios are now properly handled.
Modified:
1.3/maths_fns/mf.py
Modified: 1.3/maths_fns/mf.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/maths_fns/mf.py?rev=5227&r1=5226&r2=5227&view=diff
==============================================================================
--- 1.3/maths_fns/mf.py (original)
+++ 1.3/maths_fns/mf.py Sun Mar 23 19:19:28 2008
@@ -40,7 +40,7 @@
class Mf:
- def __init__(self, init_params=None, param_set=None, diff_type=None,
diff_params=None, scaling_matrix=None, num_spins=None, equations=None,
param_types=None, param_values=None, relax_data=None, errors=None,
bond_length=None, csa=None, num_frq=0, frq=None, num_ri=None,
remap_table=None, noe_r1_table=None, ri_labels=None, gx=0, gh=0, g_ratio=0,
h_bar=0, mu0=0, num_params=None, vectors=None):
+ def __init__(self, init_params=None, param_set=None, diff_type=None,
diff_params=None, scaling_matrix=None, num_spins=None, equations=None,
param_types=None, param_values=None, relax_data=None, errors=None,
bond_length=None, csa=None, num_frq=0, frq=None, num_ri=None,
remap_table=None, noe_r1_table=None, ri_labels=None, gx=0, gh=0, h_bar=0,
mu0=0, num_params=None, vectors=None):
"""The model-free minimisation class.
This class should be initialised before every calculation.
@@ -235,6 +235,9 @@
for i in xrange(self.num_spins):
# Total number of ri.
self.total_num_ri = self.total_num_ri + num_ri[i]
+
+ # The ratio of gyromagnetic ratios.
+ g_ratio = gh[i] / gx[i]
# Append the class instance Data to the data array.
self.data.append(Data())
@@ -259,8 +262,8 @@
self.data[i].frq_sqrd_list_ext[:, :, j] =
self.data[i].frq_sqrd_list
# Store supplied data in self.data
- self.data[i].gh = gh
- self.data[i].gx = gx
+ self.data[i].gh = gh[i]
+ self.data[i].gx = gx[i]
self.data[i].g_ratio = g_ratio
self.data[i].h_bar = h_bar
self.data[i].mu0 = mu0
r5227 - /1.3/maths_fns/mf.py