Get lengths from box

Extracting edge lengths from periodic box matrices.

The function molsysmt.pbc.get_lengths_from_box() computes the Euclidean lengths of the three cell vectors \((a, b, c)\) defining a periodic box matrix.

Added in version 1.0.0.

API documentation

Follow this link for a detailed description of the input arguments, raised errors, and returned objects of this function: molsysmt.pbc.get_lengths_from_box().

Basic usage

Let’s extract edge lengths from a periodic box matrix:

import molsysmt as msm
import pyunitwizard as puw

box = msm.pbc.get_box_with_shape(shape='cubic', length='3.5 nm')
lengths = msm.pbc.get_lengths_from_box(box)
print('Box lengths:', lengths)

Box lengths: [[3.5 3.5 3.5]] nanometer

See also

Related Tools & References

• Get box with shape: Generate standard boxes with molsysmt.pbc.get_box_with_shape().

• Get angles from box: Extract box angles with molsysmt.pbc.get_angles_from_box().

• Get volume from box: Compute box volume with molsysmt.pbc.get_volume_from_box().