Author: bugman
Date: Mon Jan 11 09:37:45 2016
New Revision: 28160
URL: http://svn.gna.org/viewcvs/relax?rev=28160&view=rev
Log:
Bug fix for the structure.read_pdb user function (bug #24300,
https://gna.org/bugs/?24300).
When the merge flag is True, and both multiple structures and multiple models
are present, the
structure.read_pdb user function would fail with a RelaxError. The problem was
that the molecule
index was simply not being updated correctly.
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=28160&r1=28159&r2=28160&view=diff
==============================================================================
--- trunk/lib/structure/internal/object.py (original)
+++ trunk/lib/structure/internal/object.py Mon Jan 11 09:37:45 2016
@@ -2506,6 +2506,7 @@
for k in range(len(model.mol)):
if model.mol[k].mol_name == set_mol_name[j]:
found = True
+ index = k
if not found:
merge_new = False
@@ -2530,9 +2531,8 @@
print("Adding molecule '%s'%s (from the original
molecule number %s%s)." % (set_mol_name[j], new_model_text, orig_mol_num[i][j],
orig_model_text))
# The index of the new molecule to add or merge.
- index = len(model.mol)
- if merge_new:
- index -= 1
+ if not merge_new:
+ index = len(model.mol)
# Store the index+1 as the new molecule number, and store the
original molecule number.
store_mol_num_new[i].append(index+1)
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