Author: bugman
Date: Mon Nov 30 17:40:19 2015
New Revision: 28134
URL: http://svn.gna.org/viewcvs/relax?rev=28134&view=rev
Log:
Modified the behaviour of the bmrb.write user function backend for a model-free
analysis.
This is in the bmrb_write() method of the model-free analysis API. Deselected
spins are now skipped
and a check has been added to be sure that spin data has been assembled.
Modified:
trunk/specific_analyses/model_free/api.py
Modified: trunk/specific_analyses/model_free/api.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/model_free/api.py?rev=28134&r1=28133&r2=28134&view=diff
==============================================================================
--- trunk/specific_analyses/model_free/api.py (original)
+++ trunk/specific_analyses/model_free/api.py Mon Nov 30 17:40:19 2015
@@ -232,7 +232,7 @@
model_list = []
# Store the spin specific data in lists for later use.
- for spin, mol_name, res_num, res_name, spin_id in
spin_loop(full_info=True, return_id=True):
+ for spin, mol_name, res_num, res_name, spin_id in
spin_loop(full_info=True, skip_desel=True, return_id=True):
# Skip the protons.
if spin.name == 'H' or (hasattr(spin, 'element') and spin.element
== 'H'):
warn(RelaxWarning("Skipping the proton spin '%s'." % spin_id))
@@ -340,6 +340,10 @@
# Model-free model.
model_list.append(to_bmrb_model(spin.model))
+
+ # Check that spin data is present.
+ if not len(model_list):
+ raise RelaxError("No model-free data could be found for any of the
currently selected spins.")
# Convert the molecule names into the entity IDs.
entity_ids = zeros(len(mol_name_list), int32)
_______________________________________________
relax (http://www.nmr-relax.com)
This is the relax-commits mailing list
relax-commits@gna.org
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-commits
