| unit_cell {cry} | R Documentation |
Constructor for an S3 object of class "unit_cell.
Description
This represents a crystal unit cell.
Usage
unit_cell(a = NULL, b = NULL, c = NULL, aa = NULL, bb = NULL, cc = NULL)
Arguments
a |
A real number. One of the unit cell's side lengths, in angstroms. |
b |
A real number. One of the unit cell's side lengths, in angstroms. |
c |
A real number. One of the unit cell's side lengths, in angstroms. |
aa |
A real number. One of the unit cell's angles, in degrees. |
bb |
A real number. One of the unit cell's angles, in degrees. |
cc |
A real number. One of the unit cell's angles, in degrees. |
Details
The constructor can be used with less than the full set of six input parameters, to create unit cells for the cubic, tetragonal and orthogonal systems. Objects of "unit_cell" class can also be created with no parameters (default to a cubic cell of side length 10 angstroms).
Value
An object of class "unit_cell". It is a named list of length 6 whose last three slots are of "angle" class.
Examples
# Create a monoclinic unit cell
uc <- unit_cell(10,30,15,90,60,90)
print(uc)
# Create a cubic cell (default)
uc <- unit_cell()
print(uc)
# Create a cubic cell with side 20
uc <- unit_cell(20)
print(uc)
# Create a tetragonal unit cell with sides 20 and 60
uc <- unit_cell(20,60)
print(uc)
# Create an orthogonal unit cell
uc <- unit_cell(40,15,30)
print(uc)