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qp2/ocaml/MO_label.ml
2019-04-11 17:04:49 +02:00

36 lines
758 B
OCaml

open Sexplib.Std
type t =
| Guess
| Canonical
| Natural
| Localized
| Orthonormalized
| MCSCF
| None
[@@deriving sexp]
let to_string = function
| Guess -> "Guess"
| Canonical -> "Canonical"
| Orthonormalized -> "Orthonormalized"
| Natural -> "Natural"
| Localized -> "Localized"
| MCSCF -> "MCSCF"
| None -> "None"
;;
let of_string s =
match String.lowercase_ascii (String.trim s) with
| "guess" -> Guess
| "canonical" -> Canonical
| "natural" -> Natural
| "localized" -> Localized
| "orthonormalized" -> Orthonormalized
| "mcscf" -> MCSCF
| "none" -> None
| _ -> (print_endline s ; failwith "MO_label should be one of:
Guess | Orthonormalized | Canonical | Natural | Localized | MCSCF | None.")
;;