r13897 - /branches/gui_testing/gui/analyses/auto_model_free.py -- July 26, 2011 - 18:02

Author: bugman
Date: Tue Jul 26 18:02:53 2011
New Revision: 13897

URL: http://svn.gna.org/viewcvs/relax?rev=13897&view=rev
Log:
Added data checks for the dauvergne_protocol GUI auto-analysis tab.

This allows for a dialog telling the user what is missing.


Modified:
    branches/gui_testing/gui/analyses/auto_model_free.py

Modified: branches/gui_testing/gui/analyses/auto_model_free.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/gui_testing/gui/analyses/auto_model_free.py?rev=13897&r1=13896&r2=13897&view=diff
==============================================================================
--- branches/gui_testing/gui/analyses/auto_model_free.py (original)
+++ branches/gui_testing/gui/analyses/auto_model_free.py Tue Jul 26 18:02:53 
2011
@@ -36,6 +36,7 @@
 from data import Relax_data_store; ds = Relax_data_store()
 from doc_builder import LIST, PARAGRAPH, SECTION, SUBSECTION, TITLE
 from generic_fns.pipes import has_pipe
+from generic_fns.mol_res_spin import exists_mol_res_spin_data, spin_loop
 from status import Status; status = Status()
 
 # relax GUI module imports.
@@ -302,6 +303,36 @@
 
         # Results directory.
         data.save_dir = self.data.save_dir
+
+        # Check if sequence data is loaded
+        if not exists_mol_res_spin_data():
+            missing.append("Sequence data")
+
+        # Relaxation data.
+        if not hasattr(cdp, 'ri_ids') or len(cdp.ri_ids) == 0:
+            missing.append("Relaxation data")
+
+        # Insufficient data.
+        if hasattr(cdp, 'ri_ids') and len(cdp.ri_ids) <= 3:
+            missing.append("Insufficient relaxation data, 4 or more data 
sets are essential for the execution of the dauvergne_protocol 
auto-analysis.")
+
+        # Spin vars.
+        for spin, spin_id in spin_loop(return_id=True):
+            # Test if the bond length has been set.
+            if not hasattr(spin, 'r') or spin.r == None:
+                missing.append("Bond length data for spin '%s'." % spin_id)
+
+            # Test if the CSA value has been set.
+            if not hasattr(spin, 'csa') or spin.csa == None:
+                missing.append("CSA data for spin '%s'." % spin_id)
+
+            # Test if the heteronucleus type has been set.
+            if not hasattr(spin, 'heteronuc_type') or spin.heteronuc_type == 
None:
+                missing.append("Heteronucleus type data for spin '%s'." % 
spin_id)
+
+            # Test if the proton type has been set.
+            if not hasattr(spin, 'proton_type') or spin.proton_type == None:
+                missing.append("Proton type data for spin '%s'." % spin_id)
 
         # Return the container and list of missing data.
         return data, missing