def setUp(self):
self.precision = 3 # rather lenient but see #271
self.u = mda.Universe(PSF, DCD)
self.a1 = self.u.atoms[1:3]
self.a2 = self.u.atoms[3:5]
self.TO1 = TopologyObject(self.a1.indices, self.u)
self.TO2 = TopologyObject(self.a2.indices, self.u)
# this atom only has one bond, so the order bonds are done (random
# because of sets) won't come back to bite us
self.b = self.u.atoms[12].bonds[0]
def setUp(self):
self.precision = 3 # rather lenient but see #271
self.u = MDAnalysis.Universe(PSF, DCD)
self.u.build_topology()
self.a1 = list(self.u.atoms[1:3])
self.a2 = list(self.u.atoms[3:5])
self.TO1 = TopologyObject(self.a1)
self.TO2 = TopologyObject(self.a2)
# this atom only has one bond, so the order bonds are done (random because of sets)
# won't come back to bite us
self.b = self.u.atoms[12].bonds[0]
def test_hash(self, TO1, TO2, a1, PSFDCD):
assert hash(TO1) != hash(TO2)
# Different universe should yield different hash
u = mda.Universe(PSF, DCD)
ag = u.atoms[1:3]
TO3 = TopologyObject(ag.indices, u)
assert hash(TO1) != hash(TO3)
# Different order should yield different hash
u = mda.Universe(PSF, DCD)
ag = u.atoms[[2, 1]]
TO3 = TopologyObject(ag.indices, u)
assert hash(TO1) != hash(TO3)
# should work with TO from the same atomgroup
TO3 = TopologyObject(a1.indices, PSFDCD)
assert_equal(hash(TO1), hash(TO3))
def test_ne(self, TO1, TO2, a1, PSFDCD):
TO1_b = TopologyObject(a1.indices, PSFDCD)
assert_equal(TO1 != TO1_b, False)
assert_equal(TO1 != TO2, True)
def TO2(a2):
return TopologyObject(a2.indices, a2.universe)
def TO1(a1):
return TopologyObject(a1.indices, a1.universe)
def test_ne(self):
TO1_b = TopologyObject(self.a1)
assert_equal(self.TO1 != TO1_b, False)
assert_equal(self.TO1 != self.TO2, True)
def test_eq(self):
TO1_b = TopologyObject(self.a1)
assert_equal(self.TO1 == TO1_b, True)
assert_equal(self.TO1 == self.TO2, False)