calculate_cell_volume: S3 generic to compute cell volume

View source: R/cry_generics_S3.R

calculate_cell_volumeR Documentation

S3 generic to compute cell volume


The volume of a unit cell and a reciprocal unit cell can be calculated starting from specific objects, files, etc.


calculate_cell_volume(x, ...)



An object used to select a method. Either an object of class unit_cell or an object of class rec_unit_cell.


Further arguments passed to or from other methods.


V A real number. The volume (in angstroms^3 or angstroms^-3) of the input unit cell or reciprocal unit cell.


# Calculate the volume of a unit cell
uc <- unit_cell(20)
V <- calculate_cell_volume(uc)

# Calculate the volume of the corresponding reciprocal cell
ruc <- create_rec_unit_cell(uc)
Vrec <- calculate_cell_volume(ruc)
V*Vrec  # Should be 1!

cry documentation built on Oct. 10, 2022, 9:06 a.m.