r17483 - /trunk/generic_fns/palmer.py -- September 17, 2012 - 13:58

Author: bugman
Date: Mon Sep 17 13:58:27 2012
New Revision: 17483

URL: http://svn.gna.org/viewcvs/relax?rev=17483&view=rev
Log:
Fix for bug #20173 (https://gna.org/bugs/?20173).

The palmer.create user function should have been checking that the diffusion 
tensor had been
initialised.  This is now being performed.


Modified:
    trunk/generic_fns/palmer.py

Modified: trunk/generic_fns/palmer.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/generic_fns/palmer.py?rev=17483&r1=17482&r2=17483&view=diff
==============================================================================
--- trunk/generic_fns/palmer.py (original)
+++ trunk/generic_fns/palmer.py Mon Sep 17 13:58:27 2012
@@ -35,7 +35,7 @@
 from generic_fns.mol_res_spin import exists_mol_res_spin_data, spin_loop
 from generic_fns import diffusion_tensor, pipes
 from physical_constants import return_gyromagnetic_ratio
-from relax_errors import RelaxError, RelaxDirError, RelaxFileError, 
RelaxNoInteratomError, RelaxNoModelError, RelaxNoPdbError, 
RelaxNoSequenceError
+from relax_errors import RelaxError, RelaxDirError, RelaxFileError, 
RelaxNoInteratomError, RelaxNoModelError, RelaxNoPdbError, 
RelaxNoSequenceError, RelaxNoTensorError
 from relax_io import mkdir_nofail, open_write_file, test_binary
 from specific_fns.setup import model_free_obj
 
@@ -263,6 +263,10 @@
     @type frq:              list of float
     """
 
+    # Check for the diffusion tensor.
+    if not hasattr(cdp, 'diff_tensor'):
+        raise RelaxNoTensorError('diffusion')
+
     # Set the diffusion tensor specific values.
     if cdp.diff_tensor.type == 'sphere':
         diff = 'isotropic'
@@ -501,6 +505,10 @@
     @type dir:          str
     """
 
+    # Check for the diffusion tensor.
+    if not hasattr(cdp, 'diff_tensor'):
+        raise RelaxNoTensorError('diffusion')
+
     file.write("#! /bin/sh\n")
     file.write(binary + " -i mfin -d mfdata -p mfpar -m mfmodel -o mfout -e 
out")
     if cdp.diff_tensor.type != 'sphere':
@@ -527,6 +535,10 @@
     @type binary:   str
     """
 
+    # Check for the diffusion tensor.
+    if not hasattr(cdp, 'diff_tensor'):
+        raise RelaxNoTensorError('diffusion')
+
     # The current directory.
     orig_dir = getcwd()
 
@@ -614,6 +626,10 @@
     # Test if sequence data is loaded.
     if not exists_mol_res_spin_data():
         raise RelaxNoSequenceError
+
+    # Check for the diffusion tensor.
+    if not hasattr(cdp, 'diff_tensor'):
+        raise RelaxNoTensorError('diffusion')
 
     # The directory.
     if dir == None: