QCaml/ci/test/determinant.ml

open Common
open Ci

let tests =

  let test_creation () =
      let l_a = [ 1 ; 2 ; 3 ; 5 ; 64 ]
      and l_b = [ 2 ; 3 ; 5 ; 65 ] in
      let det = Determinant.of_lists 66 l_a l_b in
      let z_a = Determinant.alfa det
      and z_b = Determinant.beta  det in
      Alcotest.(check (list int )) "alfa" (Spindeterminant.to_list z_a) l_a;
      Alcotest.(check (list int )) "beta"  (Spindeterminant.to_list z_b) l_b;
      Alcotest.(check bool) "phase" (Determinant.phase det = Phase.Pos)  true;
  in

  let test_phase () =
      let l_a = [ 1 ; 2 ; 3 ; 64 ; 5 ]
      and l_b = [ 2 ; 3 ; 5 ; 65 ] in
      let det = Determinant.of_lists 66 l_a l_b in
      Alcotest.(check bool) "phase" (Determinant.phase det = Phase.Neg)  true;
      let l_a = [ 1 ; 2 ; 3 ; 64 ; 5 ]
      and l_b = [ 3 ; 2 ; 5 ; 65 ] in
      let det = Determinant.of_lists 66 l_a l_b in
      Alcotest.(check bool) "phase" (Determinant.phase det = Phase.Pos)  true;
      let l_a = [ 1 ; 3 ; 2 ; 64 ; 5 ]
      and l_b = [ 3 ; 2 ; 5 ; 65 ] in
      let det = Determinant.of_lists 66 l_a l_b in
      Alcotest.(check bool) "phase" (Determinant.phase det = Phase.Neg)  true;
      let l_a = [ 1 ; 3 ; 2 ; 64 ; 5 ]
      and l_b = [ 3 ; 2 ; 65 ; 5 ] in
      let det = Determinant.of_lists 66 l_a l_b in
      Alcotest.(check bool) "phase" (Determinant.phase det = Phase.Pos)  true;
  in

  let test_operators () =
      let det =
        let open Determinant in
        let open Spin in
        creation Alfa 1 @@ creation Alfa 3 @@ creation Alfa 2 @@ creation Alfa 5 @@ 
        creation Beta 1 @@ creation Beta 3 @@ creation Beta 4 @@ creation Beta 5 @@ vac 10
      in
      Alcotest.(check bool) "creation 1" true
        (det = Determinant.of_lists 10 [ 1 ; 3 ; 2 ; 5 ] [1 ; 3 ; 4 ; 5 ] );

      let det' =
        Determinant.single_excitation Spin.Alfa 3 6 det
      in
      Alcotest.(check bool) "single_exc 1" true
        (det' = Determinant.of_lists 10 [ 1 ; 6 ; 2 ; 5 ] [1 ; 3 ; 4 ; 5 ] );

      let det' =
        Determinant.single_excitation Spin.Beta  3 6 det
      in
      Alcotest.(check bool) "single_exc 2" true
        (det' = Determinant.of_lists 10 [ 1 ; 3 ; 2 ; 5 ] [1 ; 6 ; 4 ; 5 ] );

      let det' =
        Determinant.single_excitation Spin.Alfa 4 6 det
      in
      Alcotest.(check bool) "single_exc 3" true (Determinant.is_none det');

      let det' =
        Determinant.single_excitation Spin.Beta  1 5 det
      in
      Alcotest.(check bool) "single_exc 4" true (Determinant.is_none det');

      let det' =
        Determinant.double_excitation Spin.Alfa 3 6 Spin.Alfa 2 7 det
      in
      let det'' = Determinant.of_lists 10 [ 1 ; 6 ; 7 ; 5 ] [1 ; 3 ; 4 ; 5 ] in
      Alcotest.(check bool) "double_exc 1" true (det' = det'');

      let det' =
        Determinant.double_excitation Spin.Beta  3 6 Spin.Beta 5 7  det
      in
      Alcotest.(check bool) "double_exc 2" true
        (det' = Determinant.of_lists 10 [ 1 ; 3 ; 2 ; 5 ] [1 ; 6 ; 4 ; 7 ] );

      let det' =
        Determinant.double_excitation Spin.Alfa 3 6 Spin.Beta  5 7 det
      in
      Alcotest.(check bool) "double_exc 3" true
        (det' = Determinant.of_lists 10 [ 1 ; 6 ; 2 ; 5 ] [1 ; 3 ; 4 ; 7 ] );

      let det' =
        Determinant.double_excitation Spin.Beta 5 7 Spin.Alfa 3 6 det
      in
      Alcotest.(check bool) "double_exc 4" true
        (det' = Determinant.of_lists 10 [ 1 ; 6 ; 2 ; 5 ] [1 ; 3 ; 4 ; 7 ] );

      let det' =
        Determinant.double_excitation Spin.Alfa 4 6 Spin.Alfa 2 7 det
      in
      Alcotest.(check bool) "double_exc 5" true (Determinant.is_none det');

      let det' =
        Determinant.double_excitation Spin.Beta  1 5 Spin.Alfa 2 7  det
      in
      Alcotest.(check bool) "double_exc 6" true (Determinant.is_none det');

  in

  [
    "Creation", `Quick, test_creation;
    "Phase",    `Quick, test_phase;
    "Operators",`Quick, test_operators;
  ]