QCaml/Nuclei/Element.mli

(** Chemical elements. *)

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
|Rb|Sr|Y |Zr|Nb|Mo|Tc|Ru|Rh|Pd|Ag|Cd|In|Sn|Sb|Te|I |Xe
                           |Pt          


val of_string : string -> t
(** Creates an {!Element.t} from a chemical symbol or from the full name of the
  element (case insensitive).
  @raise ElementError upon failure

Examples:

{[
Element.of_string "Fe" -> Element.Fe
Element.of_string "hydrogen" -> Element.H
Element.of_string "pouet" -> ElementError "Element pouet unknown"
]}
  *)

val to_string : t -> string
(** Gets the chemical symbol of the {!Element.t} in a string.

Example:

[Element.(to_string Fe) -> "Fe"]
*)

val to_long_string : t -> string
(** Gets the full name of the {!Element.t} in a string.

Example:

[Element.(to_long_string Fe) -> "Iron"]
*)

(** Properties *)
val to_int : t -> int 
val of_int : int -> t
val to_charge : t -> Charge.t
val of_charge : Charge.t -> t
val covalent_radius : t -> NonNegativeFloat.t
val vdw_radius : t -> NonNegativeFloat.t
val mass : t -> Mass.t