r20810 - /trunk/pipe_control/mol_res_spin.py -- September 04, 2013 - 18:05

Author: bugman
Date: Wed Sep  4 18:05:59 2013
New Revision: 20810

URL: http://svn.gna.org/viewcvs/relax?rev=20810&view=rev
Log:
Created the pipe_control.mol_res_spin.check_mol_res_spin_data() function.

This will check for the existence of molecule, residue and spin data and 
raise a RelaxError if none
exists.


Modified:
    trunk/pipe_control/mol_res_spin.py

Modified: trunk/pipe_control/mol_res_spin.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/mol_res_spin.py?rev=20810&r1=20809&r2=20810&view=diff
==============================================================================
--- trunk/pipe_control/mol_res_spin.py (original)
+++ trunk/pipe_control/mol_res_spin.py Wed Sep  4 18:05:59 2013
@@ -39,7 +39,7 @@
 
 # relax module imports.
 from lib.check_types import is_unicode
-from lib.errors import RelaxError, RelaxNoSpinError, RelaxMultiMolIDError, 
RelaxMultiResIDError, RelaxMultiSpinIDError, RelaxResSelectDisallowError, 
RelaxSpinSelectDisallowError
+from lib.errors import RelaxError, RelaxNoSequenceError, RelaxNoSpinError, 
RelaxMultiMolIDError, RelaxMultiResIDError, RelaxMultiSpinIDError, 
RelaxResSelectDisallowError, RelaxSpinSelectDisallowError
 from lib.selection import Selection, parse_token, tokenise
 from lib.warnings import RelaxWarning
 from pipe_control import exp_info, pipes
@@ -180,6 +180,17 @@
 
         # Add the entity.
         star.entity.add(mol_name=mol.name, mol_type=mol_type, 
polymer_type=polymer_type, polymer_seq_code=polymer_seq_code, 
thiol_state=cdp.exp_info.thiol_state, res_nums=res_nums, res_names=res_names)
+
+
+def check_mol_res_spin_data():
+    """Check for the presence of molecule, residue, and spin data.
+
+    @raises:    RelaxNoSequenceError if no data is present.
+    """
+
+    # Check that the spectrum ID structure exists.
+    if not exists_mol_res_spin_data():
+        raise RelaxNoSequenceError
 
 
 def copy_molecule(pipe_from=None, mol_from=None, pipe_to=None, mol_to=None):