mirror of
https://gitlab.com/scemama/QCaml.git
synced 2024-12-23 04:43:32 +01:00
61 lines
1.3 KiB
OCaml
61 lines
1.3 KiB
OCaml
(* Type
|
|
*
|
|
* <<<~Coordinate.t~>>>
|
|
* #+NAME: types *)
|
|
|
|
(* [[file:~/QCaml/common/coordinate.org::types][types]] *)
|
|
type bohr
|
|
type angstrom
|
|
|
|
type xyz = {
|
|
x : float ;
|
|
y : float ;
|
|
z : float ;
|
|
}
|
|
|
|
type 'a point = xyz
|
|
|
|
type t = bohr point
|
|
|
|
type axis = X | Y | Z
|
|
(* types ends here *)
|
|
|
|
(* Creation *)
|
|
|
|
|
|
(* [[file:~/QCaml/common/coordinate.org::*Creation][Creation:1]] *)
|
|
val make : 'a point -> t
|
|
val make_angstrom : 'a point -> angstrom point
|
|
val zero : bohr point
|
|
(* Creation:1 ends here *)
|
|
|
|
(* Conversion *)
|
|
|
|
|
|
(* [[file:~/QCaml/common/coordinate.org::*Conversion][Conversion:1]] *)
|
|
val bohr_to_angstrom : bohr point -> angstrom point
|
|
val angstrom_to_bohr : angstrom point -> bohr point
|
|
(* Conversion:1 ends here *)
|
|
|
|
(* Vector operations *)
|
|
|
|
|
|
(* [[file:~/QCaml/common/coordinate.org::*Vector operations][Vector operations:1]] *)
|
|
val neg : t -> t
|
|
val get : axis -> bohr point -> float
|
|
val dot : t -> t -> float
|
|
val norm : t -> float
|
|
val ( |. ) : float -> t -> t
|
|
val ( |+ ) : t -> t -> t
|
|
val ( |- ) : t -> t -> t
|
|
(* Vector operations:1 ends here *)
|
|
|
|
(* Printers *)
|
|
|
|
|
|
(* [[file:~/QCaml/common/coordinate.org::*Printers][Printers:1]] *)
|
|
val pp : Format.formatter -> t -> unit
|
|
val pp_bohr: Format.formatter -> t -> unit
|
|
val pp_angstrom : Format.formatter -> t -> unit
|
|
(* Printers:1 ends here *)
|