Author: bugman
Date: Fri Sep 19 11:55:07 2014
New Revision: 25918
URL: http://svn.gna.org/viewcvs/relax?rev=25918&view=rev
Log:
The frame order minimise_setup_atomic_pos() function now accepts the verbosity
argument.
This is used to silence the warnings in user functions such as
frame_order.sobol_setup.
Modified:
branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py
Modified:
branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py?rev=25918&r1=25917&r2=25918&view=diff
==============================================================================
--- branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py
(original)
+++ branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py
Fri Sep 19 11:55:07 2014
@@ -234,11 +234,13 @@
return list(row)
-def minimise_setup_atomic_pos(sim_index=None):
+def minimise_setup_atomic_pos(sim_index=None, verbosity=1):
"""Set up the atomic position data structures for optimisation using PCSs
and PREs as base data sets.
@keyword sim_index: The index of the simulation to optimise. This should
be None if normal optimisation is desired.
@type sim_index: None or int
+ @keyword verbosity: If set to 1 or higher, then printouts and warnings
will be active.
+ @type verbosity: int
@return: The atomic positions (the first index is the spins,
the second is the structures, and the third is the atomic coordinates) and the
paramagnetic centre.
@rtype: numpy rank-3 array, numpy rank-1 array.
"""
@@ -286,7 +288,7 @@
atomic_pos.append(ave_pos)
# Give a warning about the atomic position averaging.
- if len(ave_warning_spin_ids):
+ if verbosity and len(ave_warning_spin_ids):
warn(RelaxWarning("Averaging the %s atomic positions for the PCS for
the spins '%s'." % (ave_warning_num, ave_warning_spin_ids)))
# Convert to numpy objects.
@@ -796,7 +798,7 @@
# Get the atomic_positions.
atomic_pos, paramag_centre = None, None
if 'pcs' in data_types or 'pre' in data_types:
- atomic_pos, paramag_centre =
minimise_setup_atomic_pos(sim_index=sim_index)
+ atomic_pos, paramag_centre =
minimise_setup_atomic_pos(sim_index=sim_index, verbosity=verbosity)
# The fixed pivot point.
pivot = None
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