mailr7368 - in /1.3: generic_fns/value.py specific_fns/model_free/results.py


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Posted by edward on September 26, 2008 - 20:46:
Author: bugman
Date: Fri Sep 26 20:46:46 2008
New Revision: 7368

URL: http://svn.gna.org/viewcvs/relax?rev=7368&view=rev
Log:
Bug fix for the loading of model-free results files from relax 1.2.

All minimisation statistics were being reset.  The generic_fns.value.set() 
function now has the
reset flag to control this.


Modified:
    1.3/generic_fns/value.py
    1.3/specific_fns/model_free/results.py

Modified: 1.3/generic_fns/value.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/value.py?rev=7368&r1=7367&r2=7368&view=diff
==============================================================================
--- 1.3/generic_fns/value.py (original)
+++ 1.3/generic_fns/value.py Fri Sep 26 20:46:46 2008
@@ -353,17 +353,19 @@
         minimise.reset_min_stats()
 
 
-def set(val=None, param=None, spin_id=None, force=False):
+def set(val=None, param=None, spin_id=None, force=False, reset=True):
     """Function for setting residue specific data values.
 
-    @param val:     The parameter values.
-    @type val:      None, number, or list of numbers
-    @param param:   The parameter names.
-    @type param:    None, str, or list of str
-    @param spin_id: The spin identification string.
-    @type spin_id:  str
-    @param force:   A flag forcing the overwriting of current values.
-    @type force:    bool
+    @keyword val:       The parameter values.
+    @type val:          None, number, or list of numbers
+    @keyword param:     The parameter names.
+    @type param:        None, str, or list of str
+    @keyword spin_id:   The spin identification string.
+    @type spin_id:      str
+    @keyword force:     A flag forcing the overwriting of current values.
+    @type force:        bool
+    @keyword reset:     A flag which if True will cause all minimisation 
statistics to be reset.
+    @type reset:        bool
     """
 
     # Test if the current data pipe exists.
@@ -440,7 +442,8 @@
         set_non_spin_params(value=val, param=param)
 
     # Reset all minimisation statistics.
-    minimise.reset_min_stats()
+    if reset:
+        minimise.reset_min_stats()
 
 
 def set_spin_params(value=None, error=None, param=None, scaling=1.0, 
spin=None):

Modified: 1.3/specific_fns/model_free/results.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/results.py?rev=7368&r1=7367&r2=7368&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/results.py (original)
+++ 1.3/specific_fns/model_free/results.py Fri Sep 26 20:46:46 2008
@@ -928,10 +928,10 @@
             if data_set == 'value':
                 if file_line[col['nucleus']] != 'None':
                     if search('N', file_line[col['nucleus']]):
-                        generic_fns.value.set(val='15N', 
param='heteronucleus', spin_id=spin_id)
+                        generic_fns.value.set(val='15N', 
param='heteronucleus', spin_id=spin_id, reset=False)
                     elif search('C', file_line[col['nucleus']]):
-                        generic_fns.value.set(val='13C', 
param='heteronucleus', spin_id=spin_id)
-                    generic_fns.value.set(val='1H', param='proton', 
spin_id=spin_id)
+                        generic_fns.value.set(val='13C', 
param='heteronucleus', spin_id=spin_id, reset=False)
+                    generic_fns.value.set(val='1H', param='proton', 
spin_id=spin_id, reset=False)
 
             # Simulation number.
             if data_set != 'value' and data_set != 'error':




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