r8022 - in /branches/spectral_errors: ./ generic_fns/structure/main.py -- November 25, 2008 - 14:16

Author: bugman
Date: Tue Nov 25 14:16:41 2008
New Revision: 8022

URL: http://svn.gna.org/viewcvs/relax?rev=8022&view=rev
Log:
Merged revisions 8014,8016 via svnmerge from 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3

........
  r8014 | bugman | 2008-11-21 18:35:42 +0100 (Fri, 21 Nov 2008) | 3 lines
  
  The structure.load_spins() user function now tests if a structure has been 
loaded.
........
  r8016 | bugman | 2008-11-21 18:38:37 +0100 (Fri, 21 Nov 2008) | 3 lines
  
  Added a missing RelaxError import.
........

Modified:
    branches/spectral_errors/   (props changed)
    branches/spectral_errors/generic_fns/structure/main.py

Propchange: branches/spectral_errors/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Tue Nov 25 14:16:41 2008
@@ -1,1 +1,1 @@
-/1.3:1-7996
+/1.3:1-8021

Modified: branches/spectral_errors/generic_fns/structure/main.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/spectral_errors/generic_fns/structure/main.py?rev=8022&r1=8021&r2=8022&view=diff
==============================================================================
--- branches/spectral_errors/generic_fns/structure/main.py (original)
+++ branches/spectral_errors/generic_fns/structure/main.py Tue Nov 25 
14:16:41 2008
@@ -35,7 +35,7 @@
 from generic_fns.sequence import write_header, write_line
 from generic_fns.structure.internal import Internal
 from generic_fns.structure.scientific import Scientific_data
-from relax_errors import RelaxError, RelaxFileError, RelaxNoSequenceError, 
RelaxPdbError
+from relax_errors import RelaxError, RelaxFileError, RelaxNoPdbError, 
RelaxNoSequenceError, RelaxPdbError
 from relax_io import get_file_path, open_write_file
 from relax_warnings import RelaxWarning, RelaxNoPDBFileWarning, 
RelaxZeroVectorWarning
 
@@ -57,12 +57,16 @@
     # Test if the current data pipe exists.
     pipes.test()
 
+    # Alias the current data pipe.
+    cdp = pipes.get_pipe()
+
+    # Test if the structure exists.
+    if not hasattr(cdp, 'structure') or not cdp.structure.num > 0:
+        raise RelaxNoPdbError
+
     # Print out.
     print "Adding the following spins to the relax data store.\n"
     write_header(sys.stdout, mol_name_flag=True, res_num_flag=True, 
res_name_flag=True, spin_num_flag=True, spin_name_flag=True)
-
-    # Alias the current data pipe.
-    cdp = pipes.get_pipe()
 
     # Loop over all atoms of the spin_id selection.
     for mol_name, res_num, res_name, atom_num, atom_name, element, pos in 
cdp.structure.atom_loop(atom_id=spin_id, str_id=str_id, mol_name_flag=True, 
res_num_flag=True, res_name_flag=True, atom_num_flag=True, 
atom_name_flag=True, element_flag=True, pos_flag=True, ave=ave_pos):