mailr5201 - /1.3/generic_fns/align_tensor.py


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Posted by edward on March 23, 2008 - 16:38:
Author: bugman
Date: Sun Mar 23 16:38:34 2008
New Revision: 5201

URL: http://svn.gna.org/viewcvs/relax?rev=5201&view=rev
Log:
Modified generic_fns.align_tensor.kappa() to use the new 
return_gyromagnetic_ratio() function.


Modified:
    1.3/generic_fns/align_tensor.py

Modified: 1.3/generic_fns/align_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/align_tensor.py?rev=5201&r1=5200&r2=5201&view=diff
==============================================================================
--- 1.3/generic_fns/align_tensor.py (original)
+++ 1.3/generic_fns/align_tensor.py Sun Mar 23 16:38:34 2008
@@ -31,7 +31,7 @@
 from angles import wrap_angles
 from data import Data as relax_data_store
 from data.align_tensor import AlignTensorList
-from physical_constants import g13C, g1H, g15N, g17O, g31P, h_bar, mu0
+from physical_constants import return_gyromagnetic_ratio
 import pipes
 from relax_errors import RelaxError, RelaxNoPipeError, RelaxNoTensorError, 
RelaxStrError, RelaxTensorError, RelaxUnknownParamCombError, 
RelaxUnknownParamError
 
@@ -594,7 +594,7 @@
         return [0, 2*pi]
 
 
-def kappa(nuc1='N', nuc2='H'):
+def kappa(nuc1='15N', nuc2='1H'):
     """Function for calculating the kappa constant.
 
     The kappa constant is::
@@ -612,29 +612,9 @@
     @rtype:         float
     """
 
-    # Gyromagnetic ratio of the first nucleus.
-    if nuc1 == 'C':
-        gI = g13C
-    elif nuc1 == 'H':
-        gI = g1H
-    elif nuc1 == 'N':
-        gI = g15N
-    elif nuc1 == 'O':
-        gI = g17O
-    elif nuc1 == 'P':
-        gI = g31P
-
-    # Gyromagnetic ratio of the second nucleus.
-    if nuc2 == 'C':
-        gS = g13C
-    elif nuc2 == 'H':
-        gS = g1H
-    elif nuc2 == 'N':
-        gS = g15N
-    elif nuc2 == 'O':
-        gS = g17O
-    elif nuc2 == 'P':
-        gS = g31P
+    # Gyromagnetic ratios.
+    gI = return_gyromagnetic_ratio(nuc1)
+    gS = return_gyromagnetic_ratio(nuc2)
 
     # Kappa.
     return -3.0/(8.0*pi**2) * gI * gS * mu0 * h_bar




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