From dc29b0144c1d4f5f3d95271b34e7f86c908ab0f7 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Fri, 31 Oct 2014 19:26:27 +0100
Subject: [PATCH] Input_cisd_sc2 reads rst

---
 ocaml/Input_cisd_sc2.ml | 19 +++++++++++++++++++
 ocaml/test_input.ml     |  9 ++++++++-
 2 files changed, 27 insertions(+), 1 deletion(-)

diff --git a/ocaml/Input_cisd_sc2.ml b/ocaml/Input_cisd_sc2.ml
index b87dcc91..48d99559 100644
--- a/ocaml/Input_cisd_sc2.ml
+++ b/ocaml/Input_cisd_sc2.ml
@@ -12,6 +12,7 @@ module Cisd_sc2 : sig
   val read : unit -> t
   val to_string : t -> string
   val to_rst : t -> Rst_string.t
+  val of_rst : Rst_string.t -> t
 end = struct
   type t = 
     { n_det_max_cisd_sc2 : Det_number_max.t;
@@ -91,6 +92,24 @@ Compute E(PT2) at the end ::
         (PT2_energy.to_string b.pt2_max)
         (Bool.to_string b.do_pt2_end)
    |> Rst_string.of_string
+  ;;
+
+  let of_rst s =
+    let s = Rst_string.to_string s
+    |> String.split ~on:'\n'
+    |> List.filter ~f:(fun line ->
+        String.contains line '=')
+    |> List.map ~f:(fun line ->
+        "("^(
+        String.tr line ~target:'=' ~replacement:' '
+        )^")" )
+    |> String.concat
+    in
+    Sexp.of_string ("("^s^")")
+    |> t_of_sexp
+  ;;
+
+
 
 end
 
diff --git a/ocaml/test_input.ml b/ocaml/test_input.ml
index a415e79f..dbee17d7 100644
--- a/ocaml/test_input.ml
+++ b/ocaml/test_input.ml
@@ -49,6 +49,13 @@ let test_cisd_sc2 () =
   let b = Input.Cisd_sc2.read ()
   in
   print_endline (Input.Cisd_sc2.to_string b);
+  let rst = Input.Cisd_sc2.to_rst b in
+  let b2 = Input.Cisd_sc2.of_rst rst in
+  if (b = b2) then
+    print_endline "OK"
+  else
+    print_endline "rst failed";
+
 ;;
 
 let test_electrons () =
@@ -102,5 +109,5 @@ test_mo ();;
 test_nucl ();
 test_bielec_intergals ();;
 *)
-test_bielec_intergals ();;
 
+test_cisd_sc2 ();