r2857 - /1.3/sample_scripts/full_analysis.py -- November 20, 2006 - 04:35

Author: bugman
Date: Mon Nov 20 04:35:14 2006
New Revision: 2857

URL: http://svn.gna.org/viewcvs/relax?rev=2857&view=rev
Log:
Completed the fix for bug #7787 (https://gna.org/bugs/?7787).

This bug was reported by Stephen Headey (https://gna.org/users/sjheadey).

These changes to the 'full_analysis.py' script fixes the problem of fixing 
the diffusion tensor when
the local_tm model has been selected.  Also the relax namespace is now passed 
into the main class.


Modified:
    1.3/sample_scripts/full_analysis.py

Modified: 1.3/sample_scripts/full_analysis.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/full_analysis.py?rev=2857&r1=2856&r2=2857&view=diff
==============================================================================
--- 1.3/sample_scripts/full_analysis.py (original)
+++ 1.3/sample_scripts/full_analysis.py Mon Nov 20 04:35:14 2006
@@ -12,7 +12,7 @@
 
 
 class Main:
-    def __init__(self):
+    def __init__(self, relax):
         """Script for black-box model-free analysis.
 
         The value of the variable self.diff_model will determine the 
behaviour of this script.  The
@@ -123,6 +123,9 @@
 
         The final black-box model-free results will be placed in the file 
'final/results'.
         """
+
+        # Setup.
+        self.relax = relax
 
         # The diffusion model (this is the variable which should be changed).
         self.diff_model = 'local_tm'
@@ -272,8 +275,9 @@
             # Monte Carlo simulations.
             ##########################
 
-            # Fix the diffusion tensor.
-            fix('final', 'diff')
+            # Fix the diffusion tensor (if it exists!).
+            if self.relax.data.diff.has_key('final'):
+                fix('final', 'diff')
 
             # Simulations.
             monte_carlo.setup('final', number=200)
@@ -418,4 +422,4 @@
 
 
 # The main class.
-Main()
+Main(self.relax)