def test_iadd(self):
ens_B = paths.AllInXEnsemble(self.vol3)
segs_B = ens_B.split(self.trajectory)
container_B = paths.TrajectorySegmentContainer(segs_B)
container_B_id = id(container_B)
container_B += self.container
assert_equal(len(container_B), 5)
assert_equal(container_B_id, id(container_B))
def test_add(self):
ens_B = paths.AllInXEnsemble(self.vol3)
segs_B = ens_B.split(self.trajectory)
container_B = paths.TrajectorySegmentContainer(segs_B, dt=0.5)
assert_equal(len(container_B), 2)
test_container = self.container + container_B
assert_equal(len(test_container), 5)
for seg in self.container:
assert_equal(seg in test_container, True)
for seg in container_B:
assert_equal(seg in test_container, True)
def setup(self):
op = paths.FunctionCV("Id", lambda snap : snap.coordinates[0][0])
self.vol1 = paths.CVDefinedVolume(op, 0.1, 0.5)
self.vol3 = paths.CVDefinedVolume(op, 2.0, 2.5)
self.trajectory = make_1d_traj(coordinates=[0.2, 0.3, 0.6, 2.1, 2.2,
0.7, 0.4, 0.35, 2.4,
0.33, 0.32, 0.31],
velocities=[0.0]*12)
all_in_1 = paths.AllInXEnsemble(self.vol1)
self.segments = all_in_1.split(self.trajectory)
self.container = paths.TrajectorySegmentContainer(self.segments,
dt=0.5)
def test_add_different_dt(self):
ens_B = paths.AllInXEnsemble(self.vol3)
segs_B = ens_B.split(self.trajectory)
container_B = paths.TrajectorySegmentContainer(segs_B)
test_container = self.container + container_B
def test_times_without_dt(self):
bad_container = paths.TrajectorySegmentContainer(self.segments)
bad_container.times
