mailr6842 - /branches/rdc_analysis/specific_fns/n_state_model.py


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Posted by edward on July 08, 2008 - 21:03:
Author: bugman
Date: Tue Jul  8 21:03:21 2008
New Revision: 6842

URL: http://svn.gna.org/viewcvs/relax?rev=6842&view=rev
Log:
Added a number of new parameters to the return_data_name() method.

This include the bond length, and heteronucleus and proton types.


Modified:
    branches/rdc_analysis/specific_fns/n_state_model.py

Modified: branches/rdc_analysis/specific_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/rdc_analysis/specific_fns/n_state_model.py?rev=6842&r1=6841&r2=6842&view=diff
==============================================================================
--- branches/rdc_analysis/specific_fns/n_state_model.py (original)
+++ branches/rdc_analysis/specific_fns/n_state_model.py Tue Jul  8 21:03:21 
2008
@@ -734,6 +734,12 @@
         | Euler angle beta       | 'beta'                      | 'beta0', 
'beta1', ...             |
         |                        |                             |             
                      |
         | Euler angle gamma      | 'gamma'                     | 'gamma0', 
'gamma1', ...           |
+        |                        |                             |             
                      |
+        | Bond length            | 'r'                         | '^r$' or 
'[Bb]ond[ -_][Ll]ength'  |
+        |                        |                             |             
                      |
+        | Heteronucleus type     | 'heteronuc_type'            | 
'^[Hh]eteronucleus$'              |
+        |                        |                             |             
                      |
+        | Proton type            | 'proton_type'               | 
'^[Pp]roton$'                     |
         
|________________________|_____________________________|___________________________________|
 
         The objects corresponding to the object names are lists (or arrays) 
with each element
@@ -798,6 +804,27 @@
                 return 'gamma'
 
 
+        # Bond length.
+        if search('^r$', name) or search('[Bb]ond[ -_][Ll]ength', name):
+            if index:
+                return 'r', None
+            else:
+                return 'r'
+
+        # Heteronucleus type.
+        if search('^[Hh]eteronucleus$', name):
+            if index:
+                return 'heteronuc_type', None
+            else:
+                return 'heteronuc_type'
+
+        # Proton type.
+        if search('^[Pp]roton$', name):
+            if index:
+                return 'proton_type', None
+            else:
+                return 'proton_type'
+
         # Return nothing.
         if index:
             return None, None




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