mailr4919 - /1.3/generic_fns/molmol.py


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Posted by edward on February 07, 2008 - 11:13:
Author: bugman
Date: Thu Feb  7 11:13:02 2008
New Revision: 4919

URL: http://svn.gna.org/viewcvs/relax?rev=4919&view=rev
Log:
Converted the Molmol pipe_open() function to the new relax design.


Modified:
    1.3/generic_fns/molmol.py

Modified: 1.3/generic_fns/molmol.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/molmol.py?rev=4919&r1=4918&r2=4919&view=diff
==============================================================================
--- 1.3/generic_fns/molmol.py (original)
+++ 1.3/generic_fns/molmol.py Thu Feb  7 11:13:02 2008
@@ -131,8 +131,11 @@
     # Test that the Molmol binary exists.
     test_binary('molmol')
 
-    # Open the Molmol pipe.
-    relax_data_store.molmol = popen("molmol -f -", 'w', 0)
+    # Alias the data pipe container.
+    cdp = relax_data_store[relax_data_store.current_pipe]
+
+    # Open and store the Molmol pipe.
+    cdp.molmol = popen("molmol -f -", 'w', 0)
 
     # Execute the command history.
     if len(command_history) > 0:
@@ -140,7 +143,7 @@
         return
 
     # Test if the PDB file has been loaded.
-    if hasattr(relax_data_store, 'pdb') and 
relax_data_store.pdb.has_key(run):
+    if hasattr(cdp, 'structure'):
         open_pdb()
 
     # Run InitAll to remove everything from molmol.




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