def _test_coord_samples(self, coord, examples): """ Runs the coord building on a set of dist, angle, torsion values. """ for dis, ang, tor in examples: vec1, vec2, vec3 = coord vec4 = build_coord(vec1, vec2, vec3, dis, ang, tor) result = self._measure(vec1, vec2, vec3, vec4) self.assertDistance(result, dis) self.assertAngle(result, ang) self.assertTorsion(result, tor)
def test_distance(self): """Checks whether the distance is OK.""" vec1, vec2, vec3 = self.sample_coord vec4 = build_coord(vec1, vec2, vec3, 2.34, 90.0, 0.0) result = self._measure(vec1, vec2, vec3, vec4) self.assertDistance(result, 2.34)
def test_build_coord(self): """Checks whether the P+O5' atoms are constructed.""" vec1, vec2, vec3 = self.sample_coord vec4 = build_coord(vec1, vec2, vec3, 1.0, 90.0, 0) self.assertTrue(isinstance(vec4, Vector))
def test_dihedral(self): """Checks whether the torsion angle is OK.""" vec1, vec2, vec3 = self.sample_coord vec4 = build_coord(vec1, vec2, vec3, 1.0, 90.0, 90.0) result = self._measure(vec1, vec2, vec3, vec4) self.assertTorsion(result, 90.0)
def test_angle(self): """Checks whether the angle is OK.""" vec1, vec2, vec3 = self.sample_coord vec4 = build_coord(vec1, vec2, vec3, 1.0, 90.0, 0.0) result = self._measure(vec1, vec2, vec3, vec4) self.assertAngle(result, 90.0)