Esempio n. 1
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    def testDihedralAngles(self):
        from csb.numeric import dihedral_angle

        a = np.array([1, 0., 0.])
        b = np.array([0, 0., 0.])
        c = np.array([0, 1., 0.])
        d = np.array([0, 1., -1.])

        self.assertEqual(dihedral_angle(a, b, c, d), 90.0)
        self.assertEqual(dihedral_angle(a, b, c, d + a), 45.0)
        self.assertEqual(dihedral_angle(a, b, c, a), 0.0)
        self.assertEqual(dihedral_angle(a, b, c, -d), -90.0)
Esempio n. 2
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    def testDihedralAngles(self):
        """
        r526
        """
        from csb.numeric import dihedral_angle

        a = np.array([2, 0., 0.])
        b = np.array([0, 0., 0.])
        c = np.array([0, 2., 0.])
        d = np.array([0, 4., -4.])

        self.assertEqual(dihedral_angle(a, b, c, d), 90.0)
        self.assertEqual(dihedral_angle(a, b, c, a), 0.0)
        self.assertEqual(dihedral_angle(a, b, c, -d), -90.0)