def calctor(self, i, j, k, l):
"return in radian"
coords = self.coords
return tools.torsionangle(coords[i],
coords[j],
coords[k],
coords[l])
def test_torsionangle(self):
a = numpy.array((0.0, 0.0, 0.0))
b = numpy.array((1.0, 0.0, 0.0))
c = numpy.array((1.0, 1.0, 0.0))
d = numpy.array((1.0, 1.0, 1.0))
t1 = tools.torsionangle(a, a, c, d)
self.assertEqual(str(t1), 'nan') # t1 is nan
t1 = tools.torsionangle(a, b, b, d)
self.assertEqual(str(t1), 'nan') # t1 is nan
t1 = tools.torsionangle(a, b, c, c)
self.assertEqual(str(t1), 'nan') # t1 is nan
t1 = tools.torsionangle(a, b, a, d)
self.assertEqual(str(t1), 'nan') # t1 is nan
t1 = tools.torsionangle(a, b, c, b)
self.assertEqual(str(t1), 'nan') # t1 is nan
self.assertAlmostEqual(math.degrees(tools.torsionangle(a, b, c, a)),
0.0)
self.assertAlmostEqual(math.degrees(tools.torsionangle(a, b, c, d)),
90.0)
def is_pyramid(O, A, B, C, D):
'''whether O(A, B, C, D) is a pyramid
'''
return torsionangle(O, A, B, C) * torsionangle(O, A, B, D) > 0 \
or torsionangle(O, A, C, B) * torsionangle(O, A, C, D) > 0
