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