Constructor for an S3 object of class "rec_unit_cell.
rec_unit_cell.RdThis represents a crystal reciprocal unit cell.
Arguments
- ar
A real number. One of the reciprocal unit cell's side lengths, in 1/angstroms.
- br
A real number. One of the reciprocal unit cell's side lengths, in 1/angstroms.
- cr
A real number. One of the reciprocal unit cell's side lengths, in 1/angstroms.
- aar
A real number. One of the reciprocal unit cell's angles, in degrees.
- bbr
A real number. One of the reciprocal unit cell's angles, in degrees.
- ccr
A real number. One of the reciprocal unit cell's angles, in degrees.
Value
An object of class "rec_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 reciprocal unit cells for the cubic, tetragonal and orthogonal systems. Objects of "rec_unit_cell" class can also be created with no parameters (default to a reciprocal cubic cell of side length 0.1 1/angstroms).
Examples
# Create a monoclinic reciprocal unit cell
ruc <- unit_cell(0.115,0.033,0.077,90,120,90)
print(ruc)
#> This is an object of class 'unit_cell'
#> Its sides are:
#> 0.115 , 0.033 , 0.077 angstroms.
#> Its angles are:
#> 90.000 , 120.000 , 90.000 degrees.
# Create a cubic cell (default)
ruc <- rec_unit_cell()
print(ruc)
#> This is an object of class 'rec_unit_cell'
#> Its sides are:
#> 0.100 , 0.100 , 0.100 1/angstroms.
#> Its angles are:
#> 90.000 , 90.000 , 90.000 degrees.
# Create a reciprocal cubic cell with side 1/20
ruc <- rec_unit_cell(1/20)
print(ruc)
#> This is an object of class 'rec_unit_cell'
#> Its sides are:
#> 0.050 , 0.050 , 0.050 1/angstroms.
#> Its angles are:
#> 90.000 , 90.000 , 90.000 degrees.
# Create a reciprocal tetragonal unit cell with sides 1/20 and 1/60
ruc <- rec_unit_cell(1/20,1/60)
print(ruc)
#> This is an object of class 'rec_unit_cell'
#> Its sides are:
#> 0.050 , 0.050 , 0.017 1/angstroms.
#> Its angles are:
#> 90.000 , 90.000 , 90.000 degrees.
# Create a reciprocal orthogonal unit cell
ruc <- rec_unit_cell(1/40,1/15,1/30)
print(ruc)
#> This is an object of class 'rec_unit_cell'
#> Its sides are:
#> 0.025 , 0.067 , 0.033 1/angstroms.
#> Its angles are:
#> 90.000 , 90.000 , 90.000 degrees.