Author: bugman
Date: Thu Oct 23 11:54:27 2014
New Revision: 26368
URL: http://svn.gna.org/viewcvs/relax?rev=26368&view=rev
Log:
Fix for the structure.load_spins user function when the from_mols argument is
used.
The load_spins_multi_mol() function of the pipe_control.structure.main module
was incorrectly
handling the atomic position returned by the internal structural object
atom_loop() method. This
position is a list of lists when multiple models are present. But when only a
single model is
present, it returns a simple list.
Modified:
trunk/pipe_control/structure/main.py
Modified: trunk/pipe_control/structure/main.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/structure/main.py?rev=26368&r1=26367&r2=26368&view=diff
==============================================================================
--- trunk/pipe_control/structure/main.py (original)
+++ trunk/pipe_control/structure/main.py Thu Oct 23 11:54:27 2014
@@ -29,6 +29,7 @@
from warnings import warn
# relax module imports.
+from lib.check_types import is_float
from lib.checks import Check
from lib.errors import RelaxError, RelaxFileError
from lib.io import get_file_path, open_write_file, write_data
@@ -854,8 +855,11 @@
# Generate a spin ID for the current atom.
id = generate_spin_id_unique(mol_name=mol_name_target,
res_num=res_num, res_name=res_name, spin_name=atom_name)
- # Store the position info in all cases.
- positions[mol_name][id] = pos[0]
+ # Store the position info in all cases, collapsing list of lists
into single lists when needed.
+ if is_float(pos[0]):
+ positions[mol_name][id] = pos
+ else:
+ positions[mol_name][id] = pos[0]
# Not a new ID.
if id in ids:
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