Author: bugman
Date: Wed Dec 10 14:11:11 2014
New Revision: 27054
URL: http://svn.gna.org/viewcvs/relax?rev=27054&view=rev
Log:
More changes for the new Structure.test_align_molecules system test.
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=27054&r1=27053&r2=27054&view=diff
==============================================================================
--- trunk/test_suite/system_tests/structure.py (original)
+++ trunk/test_suite/system_tests/structure.py Wed Dec 10 14:11:11 2014
@@ -220,7 +220,7 @@
self.interpreter.structure.translate(T=[0., 0., 1.], model=2,
atom_id='#2')
# The alignment.
- self.interpreter.structure.align(pipes=['ref', 'align'],
molecules=['ref', '1', '2'], method='fit to first', atom_id='@N,H')
+ #self.interpreter.structure.align(pipes=['ref', 'align'],
molecules=['ref', '1', '2'], method='fit to first', atom_id='@N,H')
# Output PDB to stdout to help in debugging.
self.interpreter.structure.write_pdb(file=sys.stdout)
@@ -276,7 +276,7 @@
self.assertEqual(len(data),
len(cdp.structure.structural_data[0].mol[0].atom_name))
self.assertEqual(len(data),
len(cdp.structure.structural_data[0].mol[1].atom_name))
current_mol = ''
- for mol_name, res_num, res_name, atom_name, pos in
cdp.structure.atom_loop(selection=selection, model_num=1, mol_name_flag=True,
res_num_flag=True, res_name_flag=True, atom_name_flag=True, pos_flag=True):
+ for mol_name, res_num, res_name, atom_name, pos in
cdp.structure.atom_loop(selection=selection, mol_name_flag=True,
res_num_flag=True, res_name_flag=True, atom_name_flag=True, pos_flag=True):
if mol_name != current_mol:
current_mol = mol_name
i = 0
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