Author: bugman
Date: Thu Nov 20 14:46:04 2014
New Revision: 26658
URL: http://svn.gna.org/viewcvs/relax?rev=26658&view=rev
Log:
Modified the frame_order.pdb_model user function backend to handle missing
structural data.
The create_ave_pos() function of the specific_analyses.frame_order.geometric
module now checks that
cdp.structure exists, and if not a warning is given and the PDB file creating
is skipped.
Modified:
branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py
Modified:
branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py?rev=26658&r1=26657&r2=26658&view=diff
==============================================================================
--- branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py
(original)
+++ branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py
Thu Nov 20 14:46:04 2014
@@ -27,6 +27,7 @@
from math import pi
from numpy import array, dot, eye, float64, zeros
import sys
+from warnings import warn
# relax module imports.
from lib.errors import RelaxFault
@@ -41,6 +42,7 @@
from lib.structure.represent.cone import cone
from lib.structure.represent.rotor import rotor
from lib.text.sectioning import subsection, subsubsection
+from lib.warnings import RelaxWarning
from pipe_control.structure.mass import pipe_centre_of_mass
from specific_analyses.frame_order.data import domain_moving, generate_pivot
@@ -544,6 +546,11 @@
# Printout.
subsection(file=sys.stdout, text="Creating a PDB file with the moving
domains shifted to the average position.")
+
+ # Checks.
+ if not hasattr(cdp, 'structure'):
+ warn(RelaxWarning("No structural data is present, cannot create the
average position representation."))
+ return
# Initialise.
titles = []
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