box_volume

mdtools.box.box_volume(box, debug=False)[source]

Calculate the volume of a (triclinic) box.

The box can be triclinic or orthogonal.

Parameters:

  • box (array_like) – Box for which to calculate the volume. It must provided in the same format as returned by MDAnalysis.coordinates.base.Timestep.dimensions: [lx, ly, lz, alpha, beta, gamma].

  • debug (bool, optional) – If True, check the input arguments.

    Deprecated since version 0.0.0.dev0: This argument is without functionality and will be removed in a future release.

Returns:

volume (scalar) – The volume of the box.

Raises:

ValueError – If the volume of the box is equal to or less than zero.

See also

mdtools.box.volume()

Calculate the volume of (multiple) orthogonal box(es)

MDAnalysis.lib.mdamath.box_volume()

Calculate the volume of a single (triclinic) box

Notes

This function is just a wrapper around MDAnalysis.lib.mdamath.box_volume() that raises an exception if the calculated volume is equal to or less than zero.