mailr5804 - /1.3/generic_fns/palmer.py


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Posted by edward on April 16, 2008 - 22:08:
Author: bugman
Date: Wed Apr 16 22:08:51 2008
New Revision: 5804

URL: http://svn.gna.org/viewcvs/relax?rev=5804&view=rev
Log:
Reintroduced the test for the model-free model but with a RelaxError now 
thrown.

This test was important as the model is necessary to differentiate between te 
and ts in the mfout
file!


Modified:
    1.3/generic_fns/palmer.py

Modified: 1.3/generic_fns/palmer.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/palmer.py?rev=5804&r1=5803&r2=5804&view=diff
==============================================================================
--- 1.3/generic_fns/palmer.py (original)
+++ 1.3/generic_fns/palmer.py Wed Apr 16 22:08:51 2008
@@ -39,7 +39,7 @@
 # relax module imports.
 from data import Data as relax_data_store
 from generic_fns.selection import exists_mol_res_spin_data, spin_loop
-from relax_errors import RelaxDirError, RelaxFileError, 
RelaxFileOverwriteError, RelaxNoPdbError, RelaxNoPipeError, 
RelaxNoSequenceError, RelaxNucleusError, RelaxProgFailError
+from relax_errors import RelaxDirError, RelaxFileError, 
RelaxFileOverwriteError, RelaxNoModelError, RelaxNoPdbError, 
RelaxNoPipeError, RelaxNoSequenceError, RelaxNucleusError, RelaxProgFailError
 from relax_io import mkdir_nofail, open_write_file, test_binary
 
 
@@ -532,6 +532,10 @@
         if not spin.select:
             continue
 
+        # Test that the model has been set (needed to differentiate between 
te and ts).
+        if not hasattr(spin, 'model'):
+            raise RelaxNoModelError
+
         # Get the S2 data.
         if 'S2' in spin.params:
             spin.s2, spin.s2_err = get_mf_data(mfout_S2_pos + pos)




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