Author: bugman
Date: Wed Oct 1 19:44:30 2014
New Revision: 26116
URL: http://svn.gna.org/viewcvs/relax?rev=26116&view=rev
Log:
Modified the Structure.test_align system test to call the structure.write_pdb
user function.
This sets the file name to sys.stdout so that the original structure and the
final aligned
structures are output to STDOUT for debugging purposes.
Modified:
trunk/test_suite/system_tests/structure.py
Modified: trunk/test_suite/system_tests/structure.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/structure.py?rev=26116&r1=26115&r2=26116&view=diff
==============================================================================
--- trunk/test_suite/system_tests/structure.py (original)
+++ trunk/test_suite/system_tests/structure.py Wed Oct 1 19:44:30 2014
@@ -23,6 +23,7 @@
from math import sqrt
from numpy import array, float64, zeros
from os import sep
+import sys
from tempfile import mkdtemp, mktemp
# relax module imports.
@@ -76,6 +77,9 @@
self.interpreter.structure.delete(":8")
self.interpreter.structure.delete(":2@N")
+ # Output PDB to stdout to help in debugging.
+ self.interpreter.structure.write_pdb(file=sys.stdout)
+
# Create a second data pipe for the structures to align and
superimpose.
self.interpreter.pipe.create('align', 'N-state')
@@ -98,6 +102,9 @@
# The alignment.
self.interpreter.structure.align(pipes=['ref', 'align'], method='fit
to first', atom_id='@N,H')
+
+ # Output PDB to stdout to help in debugging.
+ self.interpreter.structure.write_pdb(file=sys.stdout)
# The atomic data.
data = [
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