mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-03 20:54:00 +01:00
19 lines
493 B
OCaml
19 lines
493 B
OCaml
exception ElementError of string
|
|
|
|
type t =
|
|
|X
|
|
|H |He
|
|
|Li|Be |B |C |N |O |F |Ne
|
|
|Na|Mg |Al|Si|P |S |Cl|Ar
|
|
|K |Ca|Sc|Ti|V |Cr|Mn|Fe|Co|Ni|Cu|Zn|Ga|Ge|As|Se|Br|Kr
|
|
with sexp
|
|
|
|
(** String conversion functions *)
|
|
val of_string : string -> t
|
|
val to_string : t -> string
|
|
val to_long_string : t -> string
|
|
|
|
(** get the positive charge *)
|
|
val to_charge : t -> Charge.t
|
|
val of_charge : Charge.t -> t
|