Added remaining regression tests need to full cover analysis.nuclinfo…

… module. Fixes #790.

package/CHANGELOG

@@ -20,8 +20,7 @@ The rules for this file:
 
 Enhancements
 
-  * Added regression tests for MDAnalysis.analysis.nuclinfo.minor_pair
-    (Issue #790)
+  * Added regression tests for MDAnalysis.analysis.nuclinfo (Issue #790)
   * All classes derived from 'AnalysisBase' now display a ProgressMeter
   with 'quiet=False'
   * The 'run' method from all 'AnalysisBase' derived classes return the

testsuite/MDAnalysisTests/analysis/test_nuclinfo.py

@@ -17,6 +17,7 @@
 from numpy.testing import (
     assert_,
     assert_almost_equal,
+    assert_allclose,
 )
 
 import MDAnalysis as mda
@@ -48,3 +49,111 @@ def test_minor_pair_1(self):
     def test_minor_pair_2(self):
         val = nuclinfo.minor_pair(self.u, 20, 5, seg1='RNAA', seg2='RNAA')
         assert_almost_equal(val, 4.356, decimal=3)
+
+    def test_major_pair_1(self):
+        val = nuclinfo.major_pair(self.u, 2, 12, seg1='RNAA', seg2='RNAA')
+        assert_almost_equal(val, 30.001, decimal=3)
+
+    def test_major_pair_2(self):
+        val = nuclinfo.major_pair(self.u, 5, 9, seg1='RNAA', seg2='RNAA')
+        assert_almost_equal(val, 12.581, decimal=3)
+
+    def test_phase_cp_1(self):
+        val = nuclinfo.phase_cp(self.u, seg='RNAA', i=9)
+        assert_almost_equal(val, 14.846, decimal=3)
+
+    def test_phase_cp_2(self):
+        val = nuclinfo.phase_cp(self.u, seg='RNAA', i=21)
+        assert_almost_equal(val, 16.199, decimal=3)
+
+    def test_phase_as_1(self):
+        val = nuclinfo.phase_as(self.u, seg='RNAA', i=1)
+        assert_almost_equal(val, 8.565, decimal=3)
+
+    def test_phase_as_2(self):
+        val = nuclinfo.phase_as(self.u, seg='RNAA', i=11)
+        assert_almost_equal(val, 151.397, decimal=3)
+
+    def test_tors_1(self):
+        val = nuclinfo.tors(self.u, seg='RNAA', i=5)
+        assert_allclose(val, [ 296.103016,  179.084427,
+                   47.712818,   81.49588 ,  205.350479,
+                  284.046562,  198.58165 ], rtol=1e-03)
+
+    def test_tors_2(self):
+        val = nuclinfo.tors(self.u, seg='RNAA', i=21)
+        assert_allclose(val, [ 300.047634,  172.476593,
+                   50.744877,   82.144211,  206.106445,
+                  286.208565,  195.652176], rtol=1e-03)
+
+    def test_tors_alpha_1(self):
+        val = nuclinfo.tors_alpha(self.u, seg='RNAA', i=6)
+        assert_almost_equal(val, 299.278, decimal=3)
+
+    def test_tors_alpha_2(self):
+        val = nuclinfo.tors_alpha(self.u, seg='RNAA', i=18)
+        assert_almost_equal(val, 304.093, decimal=3)
+
+    def test_tors_beta_1(self):
+        val = nuclinfo.tors_beta(self.u, seg='RNAA', i=7)
+        assert_almost_equal(val, 177.041, decimal=3)
+
+    def test_tors_beta_2(self):
+        val = nuclinfo.tors_beta(self.u, seg='RNAA', i=15)
+        assert_almost_equal(val, 162.441, decimal=3)
+
+    def test_tors_gamma_1(self):
+        val = nuclinfo.tors_gamma(self.u, seg='RNAA', i=7)
+        assert_almost_equal(val, 47.201, decimal=3)
+
+    def test_tors_gamma_2(self):
+        val = nuclinfo.tors_gamma(self.u, seg='RNAA', i=15)
+        assert_almost_equal(val, 64.276, decimal=3)
+
+    def test_tors_delta_1(self):
+        val = nuclinfo.tors_delta(self.u, seg='RNAA', i=7)
+        assert_almost_equal(val, 80.223, decimal=3)
+
+    def test_tors_delta_2(self):
+        val = nuclinfo.tors_delta(self.u, seg='RNAA', i=15)
+        assert_almost_equal(val, 81.553, decimal=3)
+
+    def test_tors_eps_1(self):
+        val = nuclinfo.tors_eps(self.u, seg='RNAA', i=7)
+        assert_almost_equal(val, 207.476, decimal=3)
+
+    def test_tors_eps_2(self):
+        val = nuclinfo.tors_eps(self.u, seg='RNAA', i=15)
+        assert_almost_equal(val, 202.352, decimal=3)
+
+    def test_tors_zeta_1(self):
+        val = nuclinfo.tors_zeta(self.u, seg='RNAA', i=7)
+        assert_almost_equal(val, 289.429, decimal=3)
+
+    def test_tors_zeta_2(self):
+        val = nuclinfo.tors_zeta(self.u, seg='RNAA', i=15)
+        assert_almost_equal(val, 289.318, decimal=3)
+
+    def test_tors_chi_1(self):
+        val = nuclinfo.tors_chi(self.u, seg='RNAA', i=1)
+        assert_almost_equal(val, 198.601, decimal=3)
+
+    def test_tors_chi_2(self):
+        val = nuclinfo.tors_chi(self.u, seg='RNAA', i=2)
+        assert_almost_equal(val, 198.932, decimal=3)
+
+    def test_hydroxyl_1(self):
+        val = nuclinfo.hydroxyl(self.u, seg='RNAA', i=20)
+        assert_almost_equal(val, 122.689, decimal=3)
+
+    def test_hydroxyl_2(self):
+        val = nuclinfo.hydroxyl(self.u, seg='RNAA', i=5)
+        assert_almost_equal(val, 122.965, decimal=3)
+
+    def test_pseudo_dihe_baseflip_1(self):
+        val = nuclinfo.pseudo_dihe_baseflip(self.u, 16, 2, 3, seg1='RNAA',seg2='RNAA', seg3='RNAA' )
+        assert_almost_equal(val, 308.244, decimal=3)
+
+    def test_pseudo_dihe_baseflip_2(self):
+        val = nuclinfo.pseudo_dihe_baseflip(self.u, 8, 9, 10, seg1='RNAA',seg2='RNAA', seg3='RNAA')
+        assert_almost_equal(val, 25.224, decimal=3)