Author: bugman
Date: Fri Feb 20 10:23:44 2015
New Revision: 27691
URL: http://svn.gna.org/viewcvs/relax?rev=27691&view=rev
Log:
Improved the quality of the printouts from the structure.read_pdb user function.
This also affects the structure.read_gaussian and structure.read_xyz user
functions. The messages
about adding new molecules or merging with existing molecules has been
significantly improved. The
text with the model information is now only printed if the model number is
present in the PDB file
or has been supplied by the user.
Modified:
trunk/lib/structure/internal/object.py
Modified: trunk/lib/structure/internal/object.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/structure/internal/object.py?rev=27691&r1=27690&r2=27691&view=diff
==============================================================================
--- trunk/lib/structure/internal/object.py (original)
+++ trunk/lib/structure/internal/object.py Fri Feb 20 10:23:44 2015
@@ -2480,10 +2480,23 @@
# Printout.
if verbosity:
+ # Model text formatting.
+ orig_model_text = ''
+ if orig_model_num[i] != None:
+ orig_model_text = " of model %s" % orig_model_num[i]
+ new_model_text = ''
+ if set_model_num[i] != None:
+ if merge_new:
+ new_model_text += ' of'
+ else:
+ new_model_text += ' to'
+ new_model_text += ' model %s' % set_model_num[i]
+
+ # The full text.
if merge_new:
- print("Merging with model %s of molecule '%s' (from
the original molecule number %s of model %s)" % (set_model_num[i],
set_mol_name[j], orig_mol_num[j], orig_model_num[i]))
+ print("Merging with molecule '%s'%s (from the original
molecule number %s%s)." % (set_mol_name[j], new_model_text, orig_mol_num[j],
orig_model_text))
else:
- print("Adding molecule '%s' to model %s (from the
original molecule number %s of model %s)" % (set_mol_name[j], set_model_num[i],
orig_mol_num[j], orig_model_num[i]))
+ print("Adding molecule '%s'%s (from the original
molecule number %s%s)." % (set_mol_name[j], new_model_text, orig_mol_num[j],
orig_model_text))
# The index of the new molecule to add or merge.
index = len(model.mol)
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