362 lines
8.4 KiB
OCaml
362 lines
8.4 KiB
OCaml
let global_replace x =
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x
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|> Str.global_replace (Str.regexp "Float.to_string") "string_of_float"
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|> Str.global_replace (Str.regexp "Float.of_string") "float_of_string"
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|> Str.global_replace (Str.regexp "Int.to_string") "string_of_int"
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|> Str.global_replace (Str.regexp "Int.of_string") "int_of_string"
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|> Str.global_replace (Str.regexp "String.\\(to\\|of\\)_string") ""
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let input_data = "
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* Positive_float : float
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if not (x >= 0.) then
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raise (Invalid_argument (Printf.sprintf \"Positive_float : (x >= 0.) : x=%f\" x));
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* Strictly_positive_float : float
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if not (x > 0.) then
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raise (Invalid_argument (Printf.sprintf \"Strictly_positive_float : (x > 0.) : x=%f\" x));
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* Negative_float : float
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if not (x <= 0.) then
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raise (Invalid_argument (Printf.sprintf \"Negative_float : (x <= 0.) : x=%f\" x));
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* Strictly_negative_float : float
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if not (x < 0.) then
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raise (Invalid_argument (Printf.sprintf \"Strictly_negative_float : (x < 0.) : x=%f\" x));
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* Positive_int64 : int64
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if not (x >= 0L) then
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raise (Invalid_argument (Printf.sprintf \"Positive_int64 : (x >= 0L) : x=%s\" (Int64.to_string x)));
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* Positive_int : int
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if not (x >= 0) then
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raise (Invalid_argument (Printf.sprintf \"Positive_int : (x >= 0) : x=%d\" x));
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* Strictly_positive_int : int
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if not (x > 0) then
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raise (Invalid_argument (Printf.sprintf \"Strictly_positive_int : (x > 0) : x=%d\" x));
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* Negative_int : int
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if not (x <= 0) then
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raise (Invalid_argument (Printf.sprintf \"Negative_int : (x <= 0) : x=%d\" x));
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* Det_coef : float
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if (x < -1.) || (x > 1.) then
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raise (Invalid_argument (Printf.sprintf \"Det_coef : (-1. <= x <= 1.) : x=%f\" x));
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* Normalized_float : float
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if (x < 0.) || (x > 1.) then
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raise (Invalid_argument (Printf.sprintf \"Normalized_float : (0. <= x <= 1.) : x=%f\" x));
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* Strictly_negative_int : int
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if not (x < 0) then
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raise (Invalid_argument (Printf.sprintf \"Strictly_negative_int : (x < 0) : x=%d\" x));
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* Non_empty_string : string
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if (x = \"\") then
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raise (Invalid_argument \"Non_empty_string\");
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* Det_number_max : int
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assert (x > 0) ;
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if (x > 50_000_000_000) then
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warning \"More than 50 billion determinants\";
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* States_number : int
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assert (x > 0) ;
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if (x > 1000) then
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warning \"More than 1000 states\";
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* Bit_kind_size : int
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begin match x with
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| 8 | 16 | 32 | 64 -> ()
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| _ -> raise (Invalid_argument \"Bit_kind_size should be (8|16|32|64).\")
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end;
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* Bit_kind : int
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begin match x with
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| 1 | 2 | 4 | 8 -> ()
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| _ -> raise (Invalid_argument \"Bit_kind should be (1|2|4|8).\")
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end;
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* MO_coef : float
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* MO_occ : float
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if x < 0. then 0. else
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if x > 2. then 2. else
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* AO_coef : float
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* AO_expo : float
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if (x < 0.) then
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raise (Invalid_argument (Printf.sprintf \"AO_expo : (x >= 0.) : x=%f\" x));
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* AO_prim_number : int
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assert (x > 0) ;
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* R_power : int
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assert (x >= -2) ;
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assert (x <= 8) ;
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* Threshold : float
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assert (x >= 0.) ;
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assert (x <= 1.) ;
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* Energy : float
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assert (x <=0.) ;
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* S2 : float
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assert (x >=0.) ;
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* PT2_energy : float
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assert (x >=0.) ;
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* Elec_alpha_number : int
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assert (x > 0) ;
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* Elec_beta_number : int
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assert (x >= 0) ;
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* Elec_number : int
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assert (x > 0) ;
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* MD5 : string
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assert ((String.length x) = 32);
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assert (
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let a =
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Array.init (String.length x) (fun i -> x.[i])
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in
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Array.fold_left (fun accu x -> accu && (x < 'g')) true a
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);
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* Rst_string : string
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* AO_basis_name : string
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assert (x <> \"\") ;
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"
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let input_ezfio = "
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* MO_number : int
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mo_basis_mo_num
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1 : 10_000
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More than 10_000 MOs
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* AO_number : int
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ao_basis_ao_num
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1 : 10_000
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More than 10_000 AOs
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* Nucl_number : int
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nuclei_nucl_num
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1 : 10_000
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More than 10_000 nuclei
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* N_int_number : int
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determinants_n_int
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1 : 128
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N_int > 128
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* Det_number : int
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determinants_n_det
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1 : 50_000_000_000
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More than 50 billion determinants
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"
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let untouched = "
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module MO_guess : sig
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type t [@@deriving sexp]
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val to_string : t -> string
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val of_string : string -> t
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end = struct
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type t =
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| Huckel
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| HCore
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[@@deriving sexp]
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let to_string = function
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| Huckel -> \"Huckel\"
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| HCore -> \"HCore\"
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let of_string s =
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match (String.lowercase_ascii s) with
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| \"huckel\" -> Huckel
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| \"hcore\" -> HCore
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| _ -> raise (Invalid_argument (\"Wrong Guess type : \"^s))
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end
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module Disk_access : sig
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type t [@@deriving sexp]
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val to_string : t -> string
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val of_string : string -> t
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end = struct
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type t =
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| Read
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| Write
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| None
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[@@deriving sexp]
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let to_string = function
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| Read -> \"Read\"
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| Write -> \"Write\"
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| None -> \"None\"
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let of_string s =
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match (String.lowercase_ascii s) with
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| \"read\" -> Read
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| \"write\" -> Write
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| \"none\" -> None
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| _ -> raise (Invalid_argument (\"Wrong IO type : \"^s))
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end
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module Perturbation : sig
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type t [@@deriving sexp]
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val to_string : t -> string
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val of_string : string -> t
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end = struct
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type t =
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| EN
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| HF
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| CFG
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[@@deriving sexp]
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let to_string = function
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| EN -> \"EN\"
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| HF -> \"HF\"
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| CFG -> \"CFG\"
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let of_string s =
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match (String.lowercase_ascii s) with
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| \"cfg\" -> CFG
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| \"en\" -> EN
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| \"hf\" -> HF
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| _ -> raise (Invalid_argument (\"Wrong Perturbation type : \"^s))
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end
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"
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let template = format_of_string "
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module %s : sig
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type t [@@deriving sexp]
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val to_%s : t -> %s
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val of_%s : %s %s -> t
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val to_string : t -> string
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end = struct
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type t = %s [@@deriving sexp]
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let to_%s x = x
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let of_%s %s x = ( %s x )
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let to_string x = %s.to_string x
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end
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"
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let parse_input input=
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print_string "open Sexplib.Std\nlet warning = print_string\n" ;
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let rec parse result = function
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| [] -> result
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| ( "" , "" )::tail -> parse result tail
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| ( t , text )::tail ->
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let name,typ,params,params_val =
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match String_ext.split ~on:':' t with
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| [name;typ] -> (name,typ,"","")
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| name::typ::params::params_val -> (name,typ,params,
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(String.concat ":" params_val) )
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| _ -> assert false
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in
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let typ = String_ext.strip typ
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and name = String_ext.strip name in
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let typ_cap = String.capitalize_ascii typ in
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let newstring = Printf.sprintf template name typ typ typ params_val typ typ
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typ typ params ( String_ext.strip text ) typ_cap
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in
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List.rev (parse (newstring::result) tail )
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in
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String_ext.split ~on:'*' input
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|> List.map (String_ext.lsplit2_exn ~on:'\n')
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|> parse []
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|> String.concat ""
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|> global_replace
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|> print_string
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let ezfio_template = format_of_string "
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module %s : sig
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type t [@@deriving sexp]
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val to_%s : t -> %s
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val get_max : unit -> %s
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val of_%s : ?min:%s -> ?max:%s -> %s -> t
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val to_string : t -> string
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end = struct
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type t = %s [@@deriving sexp]
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let to_string x = %s.to_string x
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let get_max () =
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if (Ezfio.has_%s ()) then
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Ezfio.get_%s ()
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else
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%s
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let get_min () =
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%s
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let to_%s x = x
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let of_%s ?(min=get_min ()) ?(max=get_max ()) x =
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begin
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assert (x >= min) ;
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if (x > %s) then
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warning \"%s\";
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begin
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match max with
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| %s -> ()
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| i ->
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if ( x > i ) then
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raise (Invalid_argument (Printf.sprintf \"%s: %%s\" (%s.to_string x) ))
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end ;
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x
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end
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end
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"
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let parse_input_ezfio input=
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let parse s =
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match (
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String_ext.split s ~on:'\n'
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|> List.filter (fun x -> (String_ext.strip x) <> "")
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) with
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| [] -> ""
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| a :: b :: c :: d :: [] ->
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begin
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let (name,typ) = String_ext.lsplit2_exn ~on:':' a
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and ezfio_func = b
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and (min, max) = String_ext.lsplit2_exn ~on:':' c
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and msg = d
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in
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let (name, typ, ezfio_func, min, max, msg) =
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match List.map String_ext.strip [ name ; typ ; ezfio_func ; min ; max ; msg ] with
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| [ name ; typ ; ezfio_func ; min ; max ; msg ] -> (name, typ, ezfio_func, min, max, msg)
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| _ -> assert false
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in
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Printf.sprintf ezfio_template
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name typ typ typ typ typ typ typ typ (String.capitalize_ascii typ)
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ezfio_func ezfio_func max min typ typ max msg min name (String.capitalize_ascii typ)
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end
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| _ -> failwith "Error in input_ezfio"
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in
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String_ext.split ~on:'*' input
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|> List.map parse
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|> String.concat ""
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|> global_replace
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|> print_string
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let () =
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parse_input input_data ;
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parse_input_ezfio input_ezfio;
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print_endline untouched
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