r4378 - /1.3/specific_fns/model_free/model_free.py -- January 06, 2008 - 00:38

Author: bugman
Date: Sun Jan  6 00:36:43 2008
New Revision: 4378

URL: http://svn.gna.org/viewcvs/relax?rev=4378&view=rev
Log:
Updated the model-free code to handle a spin system specific 'nucleus' 
variable.


Modified:
    1.3/specific_fns/model_free/model_free.py

Modified: 1.3/specific_fns/model_free/model_free.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/model_free.py?rev=4378&r1=4377&r2=4378&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/model_free.py (original)
+++ 1.3/specific_fns/model_free/model_free.py Sun Jan  6 00:36:43 2008
@@ -810,6 +810,7 @@
                           'rex',
                           'r',
                           'csa',
+                          'nucleus',
                           'chi2',
                           'iter',
                           'f_count',
@@ -857,6 +858,8 @@
         r:  Bond length.
 
         csa:  CSA value.
+
+        nucleus:  The heteronucleus type.
 
         chi2:  Chi-squared value.
 
@@ -892,6 +895,7 @@
             names.append('rex')
             names.append('r')
             names.append('csa')
+            names.append('nucleus')
 
         # Minimisation statistics.
         if set == 'all' or set == 'min':
@@ -930,6 +934,8 @@
         | Bond length                           | 'r'                | 1.02 
* 1e-10           |
         |                                       |                    |       
                 |
         | CSA                                   | 'csa'              | -172 
* 1e-6            |
+        |                                       |                    |       
                 |
+        | Heteronucleus type                    | 'nucleus'          | 'N'   
                 |
         
|_______________________________________|____________________|________________________|
 
         """
@@ -966,6 +972,10 @@
         # CSA.
         elif param == 'csa':
             return N15_CSA
+
+        # Heteronucleus type.
+        elif param == 'nucleus':
+            return 'N'
 
 
     def delete(self, run):
@@ -3614,6 +3624,8 @@
         | Bond length            | 'r'          | '^r$' or '[Bb]ond[ 
-_][Ll]ength'                 |
         |                        |              |                            
                      |
         | CSA                    | 'csa'        | '^[Cc][Ss][Aa]$'           
                      |
+        |                        |              |                            
                      |
+        | Heteronucleus type     | 'nucleus'    | '^[Nn]ucleus$'             
                      |
         
|________________________|______________|__________________________________________________|
 
         """
@@ -3658,6 +3670,10 @@
         # CSA.
         if search('^[Cc][Ss][Aa]$', name):
             return 'csa'
+
+        # Heteronucleus type.
+        if search('^[Nn]ucleus$', name):
+            return 'nucleus'
 
 
     def return_grace_string(self, param):