mailr7526 - in /1.3: generic_fns/eliminate.py specific_fns/model_free/main.py


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Posted by edward on October 06, 2008 - 00:02:
Author: bugman
Date: Mon Oct  6 00:02:26 2008
New Revision: 7526

URL: http://svn.gna.org/viewcvs/relax?rev=7526&view=rev
Log:
Fixes for the print out of eliminated Monte Carlo simulations.

The previous print out was saying that the spin system is eliminated, which 
is incorrect.


Modified:
    1.3/generic_fns/eliminate.py
    1.3/specific_fns/model_free/main.py

Modified: 1.3/generic_fns/eliminate.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/eliminate.py?rev=7526&r1=7525&r2=7526&view=diff
==============================================================================
--- 1.3/generic_fns/eliminate.py (original)
+++ 1.3/generic_fns/eliminate.py Mon Oct  6 00:02:26 2008
@@ -119,7 +119,7 @@
                 flag = False
                 for k in xrange(len(names)):
                     # Eliminate function.
-                    if eliminate(names[k], values[k], model_info, args):
+                    if eliminate(names[k], values[k], model_info, args, 
sim=j):
                         flag = True
 
                 # Deselect.

Modified: 1.3/specific_fns/model_free/main.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/main.py?rev=7526&r1=7525&r2=7526&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/main.py (original)
+++ 1.3/specific_fns/model_free/main.py Mon Oct  6 00:02:26 2008
@@ -1132,7 +1132,7 @@
             dp_to.mol = deepcopy(dp_from.mol)
 
 
-    def eliminate(self, name, value, model_index, args):
+    def eliminate(self, name, value, model_index, args, sim=None):
         """
         Local tm model elimination rule
         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -1204,12 +1204,18 @@
 
         # Local tm.
         if name == 'local_tm' and value >= c1:
-            print "The local tm parameter of " + `value` + " is greater than 
" + `c1` + ", eliminating spin system " + `spin_id` + "."
+            if sim == None:
+                print "The local tm parameter of %.5g is greater than %.5g, 
eliminating spin system '%s'." % (value, c1, spin_id)
+            else:
+                print "The local tm parameter of %.5g is greater than %.5g, 
eliminating simulation %i of spin system '%s'." % (value, c1, sim, spin_id)
             return True
 
         # Internal correlation times.
         if match('t[efs]', name) and value >= c2 * tm:
-            print "The " + name + " value of " + `value` + " is greater than 
" + `c2 * tm` + ", eliminating spin system " + `spin_id` + "."
+            if sim == None:
+                print "The %s value of %.5g is greater than %.5g, 
eliminating spin system '%s'." % (name, value, c2*tm, spin_id)
+            else:
+                print "The %s value of %.5g is greater than %.5g, 
eliminating simulation %i of spin system '%s'." % (name, value, c2*tm, sim, 
spin_id)
             return True
 
         # Accept model.




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