r26116 - /trunk/test_suite/system_tests/structure.py -- October 01, 2014 - 19:44

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 = [