def test_class(self):
c = Cell()
self.assertAlmostEqual(c.volume, 1.0, msg="Volume of triclinic 1,1,1,90,90,90 == 1.0, got %s" % c.volume)
c = Cell(1, 2, 3)
self.assertAlmostEqual(c.volume, 6.0, msg="Volume of triclinic 1,2,3,90,90,90 == 6.0, got %s" % c.volume)
c = Cell(1, 2, 3, 90, 30, 90)
self.assertAlmostEqual(c.volume, 3.0, msg="Volume of triclinic 1,2,3,90,30,90 == 3.0, got %s" % c.volume)
def test_dspacing(self):
c = Cell.cubic(1)
cd = c.d_spacing(0.1)
cds = cd.keys()
cds.sort()
t = Cell()
td = t.d_spacing(0.1)
tds = td.keys()
tds.sort()
self.assertEquals(cds, tds, msg="d-spacings are the same")
for k in cds:
self.assertEquals(cd[k], td[k], msg="plans are the same for d=%s" % k)
