Constructor for an S3 object of class "unit_cell.
unit_cell.RdThis represents a crystal unit cell.
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.
Value
An object of class "unit_cell". It is a named list of length 6 whose last three slots are of "angle" class.
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).
Examples
# Create a monoclinic unit cell
uc <- unit_cell(10,30,15,90,60,90)
print(uc)
#> This is an object of class 'unit_cell'
#> Its sides are:
#> 10.000 , 30.000 , 15.000 angstroms.
#> Its angles are:
#> 90.000 , 60.000 , 90.000 degrees.
# Create a cubic cell (default)
uc <- unit_cell()
print(uc)
#> This is an object of class 'unit_cell'
#> Its sides are:
#> 10.000 , 10.000 , 10.000 angstroms.
#> Its angles are:
#> 90.000 , 90.000 , 90.000 degrees.
# Create a cubic cell with side 20
uc <- unit_cell(20)
print(uc)
#> This is an object of class 'unit_cell'
#> Its sides are:
#> 20.000 , 20.000 , 20.000 angstroms.
#> Its angles are:
#> 90.000 , 90.000 , 90.000 degrees.
# Create a tetragonal unit cell with sides 20 and 60
uc <- unit_cell(20,60)
print(uc)
#> This is an object of class 'unit_cell'
#> Its sides are:
#> 20.000 , 20.000 , 60.000 angstroms.
#> Its angles are:
#> 90.000 , 90.000 , 90.000 degrees.
# Create an orthogonal unit cell
uc <- unit_cell(40,15,30)
print(uc)
#> This is an object of class 'unit_cell'
#> Its sides are:
#> 40.000 , 15.000 , 30.000 angstroms.
#> Its angles are:
#> 90.000 , 90.000 , 90.000 degrees.