qmcchem/ocaml/Block.ml

open Qptypes

type t = 
  { property       : Property.t ;
    value          : Sample.t        ;
    weight         : Weight.t        ;
    compute_node   : Compute_node.t  ;
    pid            : int             ;
    block_id       : Block_id.t      ;
  }

let re =
  Str.regexp "[ |#|\n]+"

let of_string s = 

   try
     let lst =
        Str.split re s
        |> List.rev
     in
      match lst with
      | b :: pid :: c:: p :: w :: v :: [] -> Some
        { property = Property.of_string p ;
          value    = Sample.of_float (float_of_string v) ;
          weight   = Weight.of_float (float_of_string w) ; 
          compute_node = Compute_node.of_string c;
          pid          = int_of_string pid;
          block_id     = Block_id.of_int (int_of_string b) ;
        }
      | b :: pid :: c:: p :: w :: v -> 
          let v = 
            List.rev v
            |> Array.of_list 
            |> Array.map float_of_string
          in
          let dim = 
            Array.length v
          in
        Some
        { property = Property.of_string p ;
          value    = Sample.of_float_array ~dim v ;
          weight   = Weight.of_float (float_of_string w) ; 
          compute_node = Compute_node.of_string c;
          pid          = int_of_string pid;
          block_id     = Block_id.of_int (int_of_string b) ;
        }
      | _ -> None
   with
   | _ -> None


  
let to_string b =
  Printf.sprintf "%s %s # %s %s %s %d"
  (Sample.to_string       b.value )
  (Weight.to_float        b.weight       |> string_of_float)
  (Property.to_string     b.property)
  (Compute_node.to_string b.compute_node)
  (string_of_int          b.pid)
  (Block_id.to_int        b.block_id)



let dir_name = lazy(
  let ezfio_filename = 
     Lazy.force Qputils.ezfio_filename
  in
  let md5 =
     QmcMd5.hash ()
  in
  let d = Filename.concat ezfio_filename "blocks" in
  if not ( Sys.file_exists d ) then
    Unix.mkdir d 0o755;
  List.fold_right Filename.concat 
    [ ezfio_filename ; "blocks" ; md5 ; Filename.dir_sep ] "" 
)


(* Fetch raw data from the EZFIO file *)
let _raw_data =
  ref None


let update_raw_data ?(locked=true) () =
  (* Create array of files to read *)
  let dir_name = 
    Lazy.force dir_name
  in
  let files = 
     let result = 
       if Sys.file_exists dir_name && Sys.is_directory dir_name then
         begin
           Sys.readdir dir_name
           |> Array.map (fun x -> dir_name^x)
           |> Array.to_list
         end
       else []
     in
     if locked then
       result
     else
       List.filter (fun x ->
         try
          let _ = 
            Str.search_backward (Str.regexp "locked") x ((String.length x) - 1)
          in false
         with
         | Not_found -> true
       ) result
  in

  let rec transform new_list = function 
   | [] -> new_list
   | head :: tail ->
     let head = String.trim head in
     let item = of_string head in
     match item with
       | None   -> transform new_list tail
       | Some x -> transform (x::new_list) tail
  in

  let result =
    let rec aux ic accu =
      let l =
        try
          Some (input_line ic)
        with
        | End_of_file -> None
      in
      match l with
      | None -> List.rev accu
      | Some l -> (aux [@tailcall]) ic (l::accu)
    in
    List.concat_map (fun filename ->
      let ic = open_in filename in
      let result = aux ic [] in
      close_in ic;
      result ) files
    |> transform [] 
  in
  result


let raw_data ?(locked=true) () = 
  match !_raw_data with
  | Some x -> x
  | None   ->
    let result = 
      update_raw_data ~locked ()
    in
    _raw_data := Some result;
    result



let properties = lazy (
  let h = Hashtbl.create 63 in
  List.iter (fun x -> 
    Hashtbl.replace h (Property.to_string x.property) x.property)
    (raw_data ());
  Hashtbl.fold (fun k v a -> v :: a) h []
)