Author: bugman
Date: Mon Oct 17 18:31:38 2011
New Revision: 14875
URL: http://svn.gna.org/viewcvs/relax?rev=14875&view=rev
Log:
Created a system test with RDC data for loading RDCs from a file with spin ID
strings at the start.
Added:
1.3/test_suite/shared_data/align_data/tb.txt (with props)
1.3/test_suite/system_tests/rdc.py
Modified:
1.3/test_suite/system_tests/__init__.py
Added: 1.3/test_suite/shared_data/align_data/tb.txt
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/align_data/tb.txt?rev=14875&view=auto
==============================================================================
--- 1.3/test_suite/shared_data/align_data/tb.txt (added)
+++ 1.3/test_suite/shared_data/align_data/tb.txt Mon Oct 17 18:31:38 2011
@@ -1,0 +1,10 @@
+
+# spin_id RDCs RDC_error
+#CaM:5&:THR@3&@N -26.2501958629 1.0
+#CaM:6&:GLU@5&@N 9.93081766942 1.0
+#CaM:7&:GLU@7&@N 7.26317614156 1.0
+#CaM:8&:GLN@9&@N -1.24840526981 None
+#CaM:9&:ILE@11&@N 5.31803314334 1.0
+#CaM:10&:ALA@13&@N 14.0362909456 1.0
+#CaM:11&:GLU@15&@N 1.33652530397 None
+#CaM:12&:PHE@17&@N -1.6021670281 None
Propchange: 1.3/test_suite/shared_data/align_data/tb.txt
------------------------------------------------------------------------------
svn:eol-style = native
Modified: 1.3/test_suite/system_tests/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/__init__.py?rev=14875&r1=14874&r2=14875&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/__init__.py (original)
+++ 1.3/test_suite/system_tests/__init__.py Mon Oct 17 18:31:38 2011
@@ -50,6 +50,7 @@
from pdc import Pdc
from peak_lists import Peak_lists
from pipes import Pipes
+from rdc import Rdc
from relax_data import Relax_data
from relax_fit import Relax_fit
from results import Results
@@ -81,6 +82,7 @@
'pdc',
'peak_lists'
'pipes',
+ 'rdc',
'relax_data',
'relax_fit',
'results',
@@ -149,6 +151,7 @@
suite_array.append(TestLoader().loadTestsFromTestCase(Pdc))
suite_array.append(TestLoader().loadTestsFromTestCase(Peak_lists))
suite_array.append(TestLoader().loadTestsFromTestCase(Pipes))
+ suite_array.append(TestLoader().loadTestsFromTestCase(Rdc))
suite_array.append(TestLoader().loadTestsFromTestCase(Relax_data))
suite_array.append(TestLoader().loadTestsFromTestCase(Relax_fit))
suite_array.append(TestLoader().loadTestsFromTestCase(Results))
Added: 1.3/test_suite/system_tests/rdc.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/rdc.py?rev=14875&view=auto
==============================================================================
--- 1.3/test_suite/system_tests/rdc.py (added)
+++ 1.3/test_suite/system_tests/rdc.py Mon Oct 17 18:31:38 2011
@@ -1,0 +1,63 @@
+###############################################################################
+#
#
+# Copyright (C) 2011 Edward d'Auvergne
#
+#
#
+# This file is part of the program relax.
#
+#
#
+# relax is free software; you can redistribute it and/or modify
#
+# it under the terms of the GNU General Public License as published by
#
+# the Free Software Foundation; either version 2 of the License, or
#
+# (at your option) any later version.
#
+#
#
+# relax is distributed in the hope that it will be useful,
#
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
#
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
#
+# GNU General Public License for more details.
#
+#
#
+# You should have received a copy of the GNU General Public License
#
+# along with relax; if not, write to the Free Software
#
+# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
#
+#
#
+###############################################################################
+
+# Module docstring.
+"""RDC-based system tests."""
+
+
+# Python module imports.
+from os import sep
+
+# relax module imports.
+from base_classes import SystemTestCase
+from generic_fns.mol_res_spin import count_spins, spin_loop
+from status import Status; status = Status()
+
+
+class Rdc(SystemTestCase):
+ """Class for testing RDC operations."""
+
+ def test_rdc_load(self):
+ """Test for the loading of some RDC data with the spin ID format."""
+
+ # Create a data pipe.
+ self.interpreter.pipe.create('test', 'N-state')
+
+ # Data directory.
+ dir = status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'align_data'+sep
+
+ # Load the spins.
+ self.interpreter.sequence.read(file='tb.txt', dir=dir, spin_id_col=1)
+
+ # Load the RDCs.
+ self.interpreter.rdc.read(align_id='tb', file='tb.txt', dir=dir,
spin_id_col=1, data_col=2, error_col=3)
+
+ # The RDCs.
+ rdcs = [ -26.2501958629, 9.93081766942, 7.26317614156,
-1.24840526981, 5.31803314334, 14.0362909456, 1.33652530397, -1.6021670281]
+
+ # Checks.
+ self.assertEqual(count_spins(), 8)
+ i = 0
+ for spin in spin_loop():
+ self.assertAlmostEqual(rdcs[i], spin.rdc['tb'])
+ i += 1
+
r14875 - in /1.3/test_suite: shared_data/align_data/tb.txt system_tests/__init__.py system_tests/rdc.py