struct Chem::Spatial::Basis
- Chem::Spatial::Basis
- Struct
- Value
- Object
Defined in:
chem/spatial/basis.crConstructors
- .new(i : Vector, j : Vector, k : Vector)
- .new(size : Size, alpha : Number = 90.0, beta : Number = 90.0, gamma : Number = 90.0) : self
Instance Method Summary
- #==(rhs : self) : Bool
- #a : Float64
- #alpha : Float64
- #angles : Tuple(Float64, Float64, Float64)
- #b : Float64
- #beta : Float64
- #c : Float64
- #gamma : Float64
- #i : Vector
- #j : Vector
- #k : Vector
- #size : Size
-
#transform : AffineTransform
Returns the transformation that converts Cartesian coordinates to fractional coordinates in terms of the basis vectors.
Constructor Detail
def self.new(size : Size, alpha : Number = 90.0, beta : Number = 90.0, gamma : Number = 90.0) : self
#
Instance Method Detail
def transform : AffineTransform
#
Returns the transformation that converts Cartesian coordinates to fractional coordinates in terms of the basis vectors.
This is equivalent to the basis change from standard to the basis defined by the lattice vectors, which is calculated as the inverse of the latter