mirror of https://gitlab.com/scemama/qmcchem.git
414 lines
10 KiB
OCaml
414 lines
10 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 "Int.to_bytes") "bytes_of_int"
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|> Str.global_replace (Str.regexp "Int64.to_bytes") "bytes_of_int64"
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|> Str.global_replace (Str.regexp "Float.to_bytes") "bytes_of_float"
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|> Str.global_replace (Str.regexp "Float.of_bytes") "float_of_bytes"
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|> Str.global_replace (Str.regexp "Int.of_bytes") "int_of_bytes"
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|> Str.global_replace (Str.regexp "Int64.of_bytes") "int64_of_bytes"
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|> Str.global_replace (Str.regexp "String.\\(to\\|of\\)_string") ""
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|> Str.global_replace (Str.regexp "String.to_bytes") "Bytes.of_string"
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|> Str.global_replace (Str.regexp "String.of_bytes") "Bytes.to_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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assert (x <= 0) ;
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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 > 100_000_000) then
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warning \"More than 100 million 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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* Bitmask_number : int
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assert (x > 0) ;
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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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* Threshold : float
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assert (x >= 0.) ;
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assert (x <= 1.) ;
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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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* Weight : float
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assert (x >= 0.) ;
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* Block_id : int
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assert (x > 0) ;
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* Compute_node : 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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spindeterminants_n_int
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1 : 30
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N_int > 30
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* Det_number : int
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spindeterminants_n_det
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1 : 100_000_000
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More than 100 million determinants
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"
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let untouched = "
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let bytes_of_int64 i =
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let result = Bytes.create 8 in
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Bytes.set_int64_ne result 0 i;
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result
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let bytes_of_int i =
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Int64.of_int i
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|> bytes_of_int64
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let int64_of_bytes b =
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Bytes.get_int64_ne b 0
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let int_of_bytes b =
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int64_of_bytes b
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|> Int64.to_int
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let float_of_bytes b =
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int64_of_bytes b
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|> Int64.float_of_bits
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let bytes_of_float f =
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Int64.bits_of_float f
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|> bytes_of_int64
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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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val to_bytes : t -> bytes
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val of_bytes : bytes -> t
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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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let to_bytes x = %s.to_bytes x
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let of_bytes b = %s.of_bytes b
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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.split_on_char ':' 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 typ_cap 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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val to_bytes : t -> bytes
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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 to_bytes x = %s.to_bytes 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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(*
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val of_bytes : bytes -> t
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let of_bytes x = %s.of_bytes x
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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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let typ_cap = String.capitalize_ascii typ in
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Printf.sprintf ezfio_template
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name typ typ typ typ typ typ typ typ typ_cap typ_cap
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ezfio_func ezfio_func max min typ typ max msg min name typ_cap
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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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(** EZFIO *)
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let input_lines filename =
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let ic = open_in filename in
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let result = String_ext.input_lines ic in
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close_in ic;
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result
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let create_ezfio_handler () =
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let lines =
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input_lines "ezfio.ml"
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(* /!\ Change when ezfio.ml changes *)
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|> List.mapi (fun i l -> if i > 442 then Some l else None)
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|> List.filter (fun x -> x <> None)
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|> List.map (fun x ->
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match x with
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| Some x -> x
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| None -> assert false)
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in
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let functions =
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List.map (fun x ->
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match String.split_on_char ' ' x with
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| _ :: x :: "()" :: "=" :: f :: dir :: item :: _-> (x, f, dir, item)
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| _ :: x :: "=" :: f :: dir :: item :: _-> (x, f, dir, item)
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| _ -> ("","","","")
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) lines
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in
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let has_functions =
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List.filter (fun (x,_,_,_) -> String.sub x 0 4 = "has_") functions
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and get_functions =
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List.filter (fun (x,_,_,_) -> String.sub x 0 4 = "get_") functions
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in
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let chop s =
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match (Str.split_delim (Str.regexp ";;") s) with
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| x :: _ -> x
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| _ -> assert false
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in
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let result =
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[ "let decode_ezfio_message msg =
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match msg with " ] @
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(
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List.map (fun (x,f,d,i) ->
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let i = chop i in
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if (String.sub f ((String.length f)-6) 6 = "_array") then
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Printf.sprintf " | \"%s\" ->
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Ezfio.read_string_array %s %s
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|> Ezfio.flattened_ezfio
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|> Array.to_list
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|> String.concat \" \"" x d i
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else
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Printf.sprintf " | \"%s\" -> Ezfio.read_string %s %s" x d i
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) get_functions
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) @ (
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List.map (fun (x,_,_,_) ->
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Printf.sprintf " | \"%s\" -> if (Ezfio.%s ()) then \"T\" else \"F\"" x x
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) has_functions
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)
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@ [" | x -> failwith (x^\" : Unknown EZFIO function\")\n;;" ;
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"" ; "let all_ezfio_messages = [ " ] @
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(
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List.rev_map (fun (x,_,_,_) ->
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Printf.sprintf " \"%s\" ; " (String.sub x 4 ((String.length x)-4))
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) has_functions
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) @ ["]"]
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in
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String.concat "\n" result
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|> print_endline
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(** Main *)
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let () =
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print_endline untouched;
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parse_input input_data ;
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parse_input_ezfio input_ezfio;
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create_ezfio_handler ()
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