From c84c7c30544e529f1650ce75c25173bbb95b431e Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Fri, 31 Oct 2014 19:23:44 +0100
Subject: [PATCH] Input.Bielec_integrals reads rst

---
 ocaml/Input_bi_integrals.ml | 16 ++++++++++++++++
 ocaml/test_input.ml         | 10 ++++++++--
 2 files changed, 24 insertions(+), 2 deletions(-)

diff --git a/ocaml/Input_bi_integrals.ml b/ocaml/Input_bi_integrals.ml
index b06d1d28..fdb859d9 100644
--- a/ocaml/Input_bi_integrals.ml
+++ b/ocaml/Input_bi_integrals.ml
@@ -16,6 +16,7 @@ module Bielec_integrals : 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 = 
     { read_ao_integrals  : bool;
@@ -165,6 +166,21 @@ Direct calculation of integrals ::
   |> 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 f75222e3..a415e79f 100644
--- a/ocaml/test_input.ml
+++ b/ocaml/test_input.ml
@@ -15,6 +15,12 @@ let test_bielec_intergals () =
   let output = Input.Bielec_integrals.to_string b
   in
   print_endline output;
+  let rst = Input.Bielec_integrals.to_rst b in
+  let b2 = Input.Bielec_integrals.of_rst rst in
+  if (b = b2) then
+    print_endline "OK"
+  else
+    print_endline "rst failed";
 ;;
 
 let test_bitmasks () =
@@ -87,7 +93,6 @@ let test_nucl () =
 
 (*
 test_ao ();;
-test_bielec_intergals ();;
 test_bitmasks ();
 test_cis ();
 test_cisd_sc2 ();
@@ -95,6 +100,7 @@ test_dets ();
 test_hf ();;
 test_mo ();;
 test_nucl ();
+test_bielec_intergals ();;
 *)
-test_nucl();;
+test_bielec_intergals ();;