def test_1(self):
points = numpy.array(((0.0, 0.0, 0.0),
(1.0, 0.0, 0.0),
(2.0, 2.0, 1.0),
(2.0, 2.0, 2.0)))
len1 = numpy.array((1.0, 1.0, 1.0, 1.0))
len2 = numpy.array((math.sqrt(2.0),)*5)
a = tuple(mezei.r6_base(points, len1, len2, 1e-9))
self.assert_(len(a) >= 4, str(a))
if len(a) != 6:
warnings.warn("this testcase should return 6 result")
for x in a:
self.assertAlmostEqual(distance(points[1], x[2]), 1.0)
self.assertAlmostEqual(distance(x[2], x[3]), 1.0)
self.assertAlmostEqual(distance(x[4], points[2]), 1.0)
self.assertAlmostEqual(distance(x[3], x[4]), 1.0)
self.assertAlmostEqual(distance(points[0], x[2]), math.sqrt(2.0))
self.assertAlmostEqual(distance(points[1], x[3]), math.sqrt(2.0))
self.assertAlmostEqual(distance(x[2], x[4]), math.sqrt(2.0))
self.assertAlmostEqual(distance(x[3], points[2]), math.sqrt(2.0))
self.assertAlmostEqual(distance(x[4], points[3]), math.sqrt(2.0))
for i in range(len(a)):
for j in range(i):
self.assert_(sum([distance(a[i][k], a[j][k]) for k in range(2,5)]) > 0.5)
def test_1(self):
fromcoords = numpy.array(((-1.0, 0.0, 0.0),
(0.0, 0.0, 0.0),
(0.0, -1.0, 0.0),
(1.0, 1.0, 0.0)))
tocoords = numpy.array(((-1.0, 0.0, 0.0),
(-1.0, -1.0, 0.0),
(0.0, -1.0, 0.0),
(1.0, 1.0, 0.0)))
refidxs = (0, 1, 2)
s = (3,)
res = sidechain.movesidechain(fromcoords, tocoords, refidxs, s)
self.assertAlmostEqual(distance(res[3], numpy.array((-2.0, -2.0, 0))),
0.0)