mirror of
https://gitlab.com/scemama/QCaml.git
synced 2024-10-31 19:23:40 +01:00
58 lines
1.1 KiB
OCaml
58 lines
1.1 KiB
OCaml
(** Contains powers of x, y and z describing the polynomials in atomic basis sets. *)
|
|
|
|
type t = private {
|
|
x : int ;
|
|
y : int ;
|
|
z : int ;
|
|
tot : int ; (* x + y + z *)
|
|
}
|
|
|
|
|
|
val of_int_tuple : int * int * int -> t
|
|
(** Example:
|
|
[of_int_tuple (2,3,1) -> { x=2 ; y=3 ; z=1 ; tot=6 }]
|
|
@raise Invalid_argument if x, y or z < 0.
|
|
*)
|
|
|
|
|
|
val to_int_tuple : t -> int * int * int
|
|
(** Example:
|
|
[to_int_tuple { x=2 ; y=3 ; z=1 ; tot=6 } -> (2,3,1) ]
|
|
*)
|
|
|
|
|
|
val get : Coordinate.axis -> t -> int
|
|
(** Example:
|
|
|
|
[Powers.get Coordinate.Y { x=2 ; y=3 ; z=1 ; tot=6 } -> 3]
|
|
|
|
*)
|
|
|
|
|
|
val incr : Coordinate.axis -> t -> t
|
|
(** Returns a new {!Powers.t} with the power on the given axis incremented.
|
|
|
|
Example:
|
|
|
|
{[
|
|
Powers.incr Coordinate.Y { x=2 ; y=3 ; z=1 ; tot=6 } ->
|
|
{ x=2 ; y=4 ; z=1 ; tot=7 }
|
|
]}
|
|
|
|
*)
|
|
|
|
|
|
val decr : Coordinate.axis -> t -> t
|
|
(** Returns a new {!Powers.t} with the power on the given axis decremented.
|
|
As opposed to {!of_int_tuple}, the values may become negative.
|
|
|
|
Example:
|
|
|
|
{[
|
|
Powers.incr Coordinate.Y { x=2 ; y=3 ; z=1 ; tot=6 } ->
|
|
{ x=2 ; y=2 ; z=1 ; tot=5 }
|
|
]}
|
|
|
|
*)
|
|
|