r2896 - /1.3/specific_fns/model_free.py -- November 30, 2006 - 10:40

Author: bugman
Date: Thu Nov 30 10:40:23 2006
New Revision: 2896

URL: http://svn.gna.org/viewcvs/relax?rev=2896&view=rev
Log:
Fix for bug #7890 (https://gna.org/bugs/index.php?7890).

The columnar results file reading function now turns the Monte Carlo 
simulation state off after
executing the 'self.relax.generic.monte_carlo.setup()' function.


Modified:
    1.3/specific_fns/model_free.py

Modified: 1.3/specific_fns/model_free.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free.py?rev=2896&r1=2895&r2=2896&view=diff
==============================================================================
--- 1.3/specific_fns/model_free.py (original)
+++ 1.3/specific_fns/model_free.py Thu Nov 30 10:40:23 2006
@@ -1420,13 +1420,12 @@
 
         # Local tm.
         if name == 'local_tm' and value >= c1:
-            print "The local tm parameter of " + `value` + " is greater than 
" + `c1` + ", eliminating spin system " + `self.relax.data.res[run][i].num` + 
" " + self.rel
-ax.data.res[run][i].name + " of the run " + `run`
+            print "The local tm parameter of " + `value` + " is greater than 
" + `c1` + ", eliminating spin system " + `self.relax.data.res[run][i].num` + 
" " + self.relax.data.res[run][i].name + " of the run " + `run`
             return 1
 
         # Internal correlation times.
         if match('t[efs]', name) and value >= c2 * tm:
-            print "The correlation time parameter of " + `value` + " is 
greater than " + `c2 * tm` + ", eliminating residue " + 
`self.relax.data.res[run][i].num` + " " + self.relax.data.res[run][i].name
+            print "The " + name + " value of " + `value` + " is greater than 
" + `c2 * tm` + ", eliminating spin system " + 
`self.relax.data.res[run][i].num` + " " + self.relax.data.res[run][i].name + 
" of the run " + `run`
             return 1
 
         # Accept model.
@@ -3442,6 +3441,9 @@
 
             # Set up the Monte Carlo simulations.
             self.relax.generic.monte_carlo.setup(self.run, number=len(sims), 
all_select_sim=all_select_sim)
+
+            # Turn the simulation state to off!
+            self.relax.data.sim_state[self.run] = 0
 
 
     def read_columnar_sequence(self):