mailr4282 - /1.3/specific_fns/model_free/model_free.py


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Posted by edward on January 03, 2008 - 17:43:
Author: bugman
Date: Thu Jan  3 17:43:17 2008
New Revision: 4282

URL: http://svn.gna.org/viewcvs/relax?rev=4282&view=rev
Log:
Updated the model-free code to use the default CSA and bond length vals in 
phyical_constants.py.


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=4282&r1=4281&r2=4282&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/model_free.py (original)
+++ 1.3/specific_fns/model_free/model_free.py Thu Jan  3 17:43:17 2008
@@ -1,6 +1,6 @@
 
###############################################################################
 #                                                                            
 #
-# Copyright (C) 2003-2007 Edward d'Auvergne                                  
 #
+# Copyright (C) 2003-2008 Edward d'Auvergne                                  
 #
 #                                                                            
 #
 # This file is part of the program relax.                                    
 #
 #                                                                            
 #
@@ -32,11 +32,12 @@
 
 # relax module imports.
 from data import Data as relax_data_store
-from specific_fns.base_class import Common_functions
 from float import isNaN,isInf
 from maths_fns.mf import Mf
 from minimise.generic import generic_minimise
+from physical_constants import N15_CSA, NH_BOND_LENGTH
 from relax_errors import RelaxError, RelaxFuncSetupError, RelaxInfError, 
RelaxInvalidDataError, RelaxLenError, RelaxNaNError, RelaxNoModelError, 
RelaxNoPdbError, RelaxNoResError, RelaxNoPipeError, RelaxNoSequenceError, 
RelaxNoTensorError, RelaxNoValueError, RelaxNoVectorsError, 
RelaxNucleusError, RelaxStyleError, RelaxTensorError, 
RelaxUnknownDataTypeError
+from specific_fns.base_class import Common_functions
 
 
 # The relax data storage object.
@@ -932,7 +933,7 @@
         |                                       |                    |       
                 |
         | Bond length                           | 'r'                | 1.02 
* 1e-10           |
         |                                       |                    |       
                 |
-        | CSA                                   | 'csa'              | -170 
* 1e-6            |
+        | CSA                                   | 'csa'              | -172 
* 1e-6            |
         
|_______________________________________|____________________|________________________|
 
         """
@@ -963,11 +964,11 @@
 
         # Bond length.
         elif param == 'r':
-            return 1.02 * 1e-10
+            return NH_BOND_LENGTH
 
         # CSA.
         elif param == 'csa':
-            return -170 * 1e-6
+            return N15_CSA
 
 
     def delete(self, run):




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