r12776 - in /branches/relax_data/specific_fns: api_base.py model_free/main.py setup.py -- March 03, 2011 - 13:08

Author: bugman
Date: Thu Mar  3 13:08:29 2011
New Revision: 12776

URL: http://svn.gna.org/viewcvs/relax?rev=12776&view=rev
Log:
Reverted r12775, as back_calc_ri should be part of the API.

The command used was:
svn merge -r12775:12774 .

.....
  r12775 | bugman | 2011-03-03 12:59:57 +0100 (Thu, 03 Mar 2011) | 3 lines
  Changed paths:
     M /branches/relax_data/specific_fns/api_base.py
     M /branches/relax_data/specific_fns/model_free/main.py
     M /branches/relax_data/specific_fns/setup.py
  
  Removed the model-free specific back_calc_ri() method from the specific 
code API.
.....


Modified:
    branches/relax_data/specific_fns/api_base.py
    branches/relax_data/specific_fns/model_free/main.py
    branches/relax_data/specific_fns/setup.py

Modified: branches/relax_data/specific_fns/api_base.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_data/specific_fns/api_base.py?rev=12776&r1=12775&r2=12776&view=diff
==============================================================================
--- branches/relax_data/specific_fns/api_base.py (original)
+++ branches/relax_data/specific_fns/api_base.py Thu Mar  3 13:08:29 2011
@@ -1,6 +1,6 @@
 
###############################################################################
 #                                                                            
 #
-# Copyright (C) 2004-2011 Edward d'Auvergne                                  
 #
+# Copyright (C) 2004, 2006-2009 Edward d'Auvergne                            
 #
 #                                                                            
 #
 # This file is part of the program relax.                                    
 #
 #                                                                            
 #
@@ -33,6 +33,25 @@
 
     All the methods here are prototype methods.  To identify that the method 
is not available for certain analysis types, if called a RelaxImplementError 
is raised if called.
     """
+
+    def back_calc_ri(self, spin_index=None, ri_label=None, frq_label=None, 
frq=None):
+        """Back-calculation of relaxation data from the model-free parameter 
values.
+
+        @keyword spin_index:    The global spin index.
+        @type spin_index:       int
+        @keyword ri_label:      The relaxation data type, i.e. 'R1', 'R2', 
or 'NOE'.
+        @type ri_label:         str
+        @keyword frq_label:     The field strength label.
+        @type frq_label:        str
+        @keyword frq:           The field strength.
+        @type frq:              float
+        @return:                The back calculated relaxation data value 
corresponding to the index.
+        @rtype:                 float
+        """
+
+        # Not implemented.
+        raise RelaxImplementError
+
 
     def base_data_loop(self):
         """Generator method for looping over the base data of the specific 
analysis type.

Modified: branches/relax_data/specific_fns/model_free/main.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_data/specific_fns/model_free/main.py?rev=12776&r1=12775&r2=12776&view=diff
==============================================================================
--- branches/relax_data/specific_fns/model_free/main.py (original)
+++ branches/relax_data/specific_fns/model_free/main.py Thu Mar  3 13:08:29 
2011
@@ -430,7 +430,7 @@
         return scaling_matrix
 
 
-    def _back_calc_ri(self, spin_index=None, ri_id=None, ri_type=None, 
frq=None):
+    def back_calc_ri(self, spin_index=None, ri_id=None, ri_type=None, 
frq=None):
         """Back-calculation of relaxation data from the model-free parameter 
values.
 
         @keyword spin_index:    The global spin index.
@@ -1185,7 +1185,7 @@
         # Loop over the relaxation data.
         for ri_id in cdp.ri_ids:
             # Back calculate the value.
-            value = self._back_calc_ri(spin_index=global_index, ri_id=ri_id, 
ri_type=cdp.ri_type[ri_id], frq=cdp.frq[ri_id])
+            value = self.back_calc_ri(spin_index=global_index, ri_id=ri_id, 
ri_type=cdp.ri_type[ri_id], frq=cdp.frq[ri_id])
 
             # Append the value.
             mc_data.append(value)

Modified: branches/relax_data/specific_fns/setup.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_data/specific_fns/setup.py?rev=12776&r1=12775&r2=12776&view=diff
==============================================================================
--- branches/relax_data/specific_fns/setup.py (original)
+++ branches/relax_data/specific_fns/setup.py Thu Mar  3 13:08:29 2011
@@ -57,6 +57,10 @@
 
     # Attempt to retrieve the function.
     try:
+        # Back calculation of relaxation data.
+        if eqi == 'back_calc_ri':
+            function = inst.back_calc_ri
+
         # Base data loop generator function.
         if eqi == 'base_data_loop':
             function = inst.base_data_loop