Started tests for nuclinfo

testsuite/MDAnalysisTests/analysis/test_nuclinfo.py

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+# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*-
+# vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 fileencoding=utf-8
+#
+# MDAnalysis --- http://www.MDAnalysis.org
+# Copyright (c) 2006-2015 Naveen Michaud-Agrawal, Elizabeth J. Denning, Oliver
+# Beckstein and contributors (see AUTHORS for the full list)
+#
+# Released under the GNU Public Licence, v2 or any higher version
+#
+# Please cite your use of MDAnalysis in published work:
+#
+# N. Michaud-Agrawal, E. J. Denning, T. B. Woolf, and O. Beckstein.
+# MDAnalysis: A Toolkit for the Analysis of Molecular Dynamics Simulations.
+# J. Comput. Chem. 32 (2011), 2319--2327, doi:10.1002/jcc.21787
+#
+
+from numpy.testing import (
+    assert_,
+    assert_almost_equal,
+)
+
+import MDAnalysis as mda
+from MDAnalysis.analysis import nuclinfo
+
+from MDAnalysisTests.datafiles import NUCL
+
+
+class TestNuclinfo(object):
+    def setUp(self):
+        self.u = mda.Universe(NUCL)
+
+    def tearDown(self):
+        del self.u
+
+    def test_wc_pair_1(self):
+        val = nuclinfo.wc_pair(self.u, 1, 2, seg1='RNAA', seg2='RNAA')
+
+        assert_almost_equal(val, 4.449, decimal=3)
+
+    def test_wc_pair_2(self):
+        val = nuclinfo.wc_pair(self.u, 22, 23, seg1='RNAA', seg2='RNAA')
+        assert_almost_equal(val, 4.601, decimal=3)