Trajectory

class sknano.core.atoms.Trajectory(snapshots=None)

Bases: sknano.core.strings.TabulateMixin, sknano.core.collections.UserList

Base class for trajectory analysis.

Parameters:snapshots (list, optional) –

Attributes

Nsnaps	Number of Snapshots in Trajectory.
aselect	Alias for atom_selection.
atom_selection	AtomSelection class.
fmtstr	Format string.
nselect	Alias for nselected.
nselected	Number of selected snapshots.
reference_snapshot	Reference snapshot for computing changes in atom trajectories.
snapshots	Returns the list of Trajectory Snapshots.
time_selection	TimeSelection class.
timesteps	List of selected Trajectory Snapshot timesteps.
tselect	Alias for time_selection.

Methods

append(item)
clear()
copy()
count(item)
cull()	Remove duplicate timesteps from Trajectory.
extend(other)
get_snapshot(ts)	Return Snapshot with timestep ts.
index(item, *args)
insert(i, item)
pop([i])
remove(item)
reverse()
sort([key, reverse])	Sort the trajectory Snapshots.
timestep_index(ts)	Return index of Snapshot with timestep ts.
todict()	Return dict of constructor parameters.