mailr14815 - /1.3/specific_fns/n_state_model.py


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Posted by edward on October 09, 2011 - 14:34:
Author: bugman
Date: Sun Oct  9 14:34:42 2011
New Revision: 14815

URL: http://svn.gna.org/viewcvs/relax?rev=14815&view=rev
Log:
Bug fix for the Monte Carlo simulation data generation for the N-state model.

The create_mc_data() method was always skipping RDC and PCS data due to an 
incorrect check for the
presence of that data.


Modified:
    1.3/specific_fns/n_state_model.py

Modified: 1.3/specific_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/n_state_model.py?rev=14815&r1=14814&r2=14815&view=diff
==============================================================================
--- 1.3/specific_fns/n_state_model.py (original)
+++ 1.3/specific_fns/n_state_model.py Sun Oct  9 14:34:42 2011
@@ -1694,7 +1694,7 @@
 
 
     def create_mc_data(self, data_id=None):
-        """Create the Monte Carlo Ri data by back-calculation.
+        """Create the Monte Carlo data by back-calculation.
 
         @keyword data_id:   The list of spin ID, data type, and alignment 
ID, as yielded by the base_data_loop() generator method.
         @type data_id:      str
@@ -1715,7 +1715,7 @@
                 self.calculate()
 
             # The data.
-            if not hasattr(spin, 'rdc_bc') or 
spin.rdc_bc.has_key(data_id[2]):
+            if not hasattr(spin, 'rdc_bc') or not 
spin.rdc_bc.has_key(data_id[2]):
                 data = None
             else:
                 data = spin.rdc_bc[data_id[2]]
@@ -1730,7 +1730,7 @@
                 self.calculate()
 
             # The data.
-            if not hasattr(spin, 'pcs_bc') or 
spin.pcs_bc.has_key(data_id[2]):
+            if not hasattr(spin, 'pcs_bc') or not 
spin.pcs_bc.has_key(data_id[2]):
                 data = None
             else:
                 data = spin.pcs_bc[data_id[2]]




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