2014-08-26 15:31:16 +02:00
|
|
|
open Core.Std;;
|
|
|
|
|
|
|
|
let input_data = "
|
|
|
|
* Positive_float : float
|
|
|
|
assert (x >= 0.) ;
|
|
|
|
|
|
|
|
* Strictly_positive_float : float
|
|
|
|
assert (x > 0.) ;
|
|
|
|
|
|
|
|
* Negative_float : float
|
|
|
|
assert (x <= 0.) ;
|
|
|
|
|
|
|
|
* Strictly_negative_float : float
|
|
|
|
assert (x < 0.) ;
|
|
|
|
|
|
|
|
* Positive_int : int
|
|
|
|
assert (x >= 0) ;
|
|
|
|
|
|
|
|
* Strictly_positive_int : int
|
|
|
|
assert (x > 0) ;
|
|
|
|
|
|
|
|
* Negative_int : int
|
|
|
|
assert (x <= 0) ;
|
|
|
|
|
|
|
|
* Strictly_negative_int : int
|
|
|
|
assert (x < 0) ;
|
|
|
|
|
|
|
|
* Non_empty_string : string
|
|
|
|
assert (x <> \"\") ;
|
|
|
|
|
2014-09-17 23:47:13 +02:00
|
|
|
* Atom_number : int
|
|
|
|
assert (x > 0) ;
|
|
|
|
if (x > 1000) then
|
|
|
|
warning \"More than 1000 atoms\";
|
|
|
|
if (Ezfio.has_nuclei_nucl_num ()) then
|
|
|
|
assert (x <= (Ezfio.get_nuclei_nucl_num ()));
|
|
|
|
|
2014-08-26 15:31:16 +02:00
|
|
|
* MO_number : int
|
|
|
|
assert (x > 0) ;
|
2014-09-17 11:49:00 +02:00
|
|
|
if (x > 1000) then
|
|
|
|
warning \"More than 1000 MOs\";
|
2014-08-26 15:31:16 +02:00
|
|
|
if (Ezfio.has_mo_basis_mo_tot_num ()) then
|
|
|
|
assert (x <= (Ezfio.get_mo_basis_mo_tot_num ()));
|
|
|
|
|
|
|
|
* AO_number : int
|
|
|
|
assert (x > 0) ;
|
2014-09-17 11:49:00 +02:00
|
|
|
if (x > 1000) then
|
|
|
|
warning \"More than 1000 AOs\";
|
2014-08-26 15:31:16 +02:00
|
|
|
if (Ezfio.has_ao_basis_ao_num ()) then
|
|
|
|
assert (x <= (Ezfio.get_ao_basis_ao_num ()));
|
|
|
|
|
|
|
|
* N_int_number : int
|
|
|
|
assert (x > 0) ;
|
2014-09-17 11:49:00 +02:00
|
|
|
if (x > 100) then
|
|
|
|
warning \"N_int > 100\";
|
2014-08-26 15:31:16 +02:00
|
|
|
if (Ezfio.has_determinants_n_int ()) then
|
2014-09-18 17:01:43 +02:00
|
|
|
assert (x = (Ezfio.get_determinants_n_int ()));
|
2014-08-26 15:31:16 +02:00
|
|
|
|
|
|
|
* Det_number : int
|
|
|
|
assert (x > 0) ;
|
2014-09-17 11:49:00 +02:00
|
|
|
if (x > 100000000) then
|
|
|
|
warning \"More than 100 million determinants\";
|
2014-08-26 15:31:16 +02:00
|
|
|
if (Ezfio.has_determinants_det_num ()) then
|
|
|
|
assert (x <= (Ezfio.get_determinants_det_num ()));
|
2014-09-17 11:49:00 +02:00
|
|
|
|
|
|
|
* Bit_kind_size : int
|
|
|
|
begin match x with
|
|
|
|
| 8 | 16 | 32 | 64 -> ()
|
|
|
|
| _ -> raise (Failure \"Bit_kind_size should be (8|16|32|64).\")
|
|
|
|
end;
|
|
|
|
|
|
|
|
* Bit_kind : int
|
|
|
|
begin match x with
|
|
|
|
| 1 | 2 | 4 | 8 -> ()
|
|
|
|
| _ -> raise (Failure \"Bit_kind should be (1|2|4|8).\")
|
|
|
|
end;
|
|
|
|
|
2014-09-18 17:01:43 +02:00
|
|
|
* MO_coef : float
|
|
|
|
|
|
|
|
* AO_coef : float
|
|
|
|
|
2014-08-26 15:31:16 +02:00
|
|
|
"
|
|
|
|
;;
|
|
|
|
|
|
|
|
|
|
|
|
let template = format_of_string "
|
|
|
|
module %s : sig
|
|
|
|
type t
|
|
|
|
val to_%s : t -> %s
|
|
|
|
val of_%s : %s -> t
|
2014-09-18 17:01:43 +02:00
|
|
|
val to_string : %s -> string
|
2014-08-26 15:31:16 +02:00
|
|
|
end = struct
|
|
|
|
type t = %s
|
|
|
|
let to_%s x = x
|
|
|
|
let of_%s x = ( %s x )
|
2014-09-18 17:01:43 +02:00
|
|
|
let to_string x = %s.to_string x
|
2014-08-26 15:31:16 +02:00
|
|
|
end
|
|
|
|
|
|
|
|
"
|
|
|
|
;;
|
|
|
|
|
|
|
|
let parse_input input=
|
2014-09-18 17:01:43 +02:00
|
|
|
print_string "open Core.Std;;\nlet warning = print_string;;\n" ;
|
2014-08-26 15:31:16 +02:00
|
|
|
let rec parse result = function
|
|
|
|
| [] -> result
|
|
|
|
| ( "" , "" )::tail -> parse result tail
|
|
|
|
| ( t , text )::tail ->
|
|
|
|
let name , typ = String.lsplit2_exn ~on:':' t
|
|
|
|
in
|
|
|
|
let typ = String.strip typ
|
2014-09-18 17:01:43 +02:00
|
|
|
and name = String.strip name in
|
|
|
|
let typ_cap = String.capitalize typ in
|
|
|
|
let newstring = Printf.sprintf template name typ typ typ typ typ typ typ typ
|
|
|
|
( String.strip text ) typ_cap
|
2014-08-26 15:31:16 +02:00
|
|
|
in
|
|
|
|
List.rev (parse (newstring::result) tail )
|
|
|
|
in
|
|
|
|
String.split ~on:'*' input
|
|
|
|
|> List.map ~f:(String.lsplit2_exn ~on:'\n')
|
|
|
|
|> parse []
|
|
|
|
|> String.concat
|
|
|
|
|> print_string
|
|
|
|
;;
|
|
|
|
|
|
|
|
let () = parse_input input_data;;
|
|
|
|
|
|
|
|
|