api

A module containing api functions to handle trajectories and frame objects.

Summary

Functions:

check_trajectory_pbc	Checks no cell in the trajectory is Cell() i.e. checks if the trajectory is never in vacuum.
check_trajectory_vacuum	Checks if all cells of the trajectory are in vacuum i.e. cell = Cell().

Reference

check_trajectory_pbc(

cells: Cells,

) → bool

Checks no cell in the trajectory is Cell() i.e. checks if the trajectory is never in vacuum.

Parameters:

cells (Cells) – The list of cells of the trajectory.

Returns:

False if one cell of the trajectory is Cell(), True otherwise.

Return type:

bool

check_trajectory_vacuum(

cells: Cells,

) → bool

Checks if all cells of the trajectory are in vacuum i.e. cell = Cell().

Parameters:

cells (Cells) – The list of cells of the trajectory.

Returns:

True if all cells of the trajectory are in vacuum, False otherwise.

Return type:

bool