QCaml/ci/test/spindeterminant.ml

open Alcotest
open Ci
open Ci.Spindeterminant

let tests =

  let test_creation () =
    let l_a = [ 1 ; 2 ; 3 ; 5 ] in
    let det = of_list 10 l_a in
    check (list int ) "bitstring 1" l_a (to_list det);
    check bool "phase 2" true (phase det = Phase.Pos);
    let l_b = [ 1 ; 3 ; 2 ; 5 ] in
    let det = of_list 10 l_b in
    check (list int ) "bitstring 2" l_a (to_list det);
    check bool "phase 2" true (phase det = Phase.Neg);
  in

  let test_a_operators () =
    let det =
      creation 5 @@ creation 2 @@ creation 2 @@ creation 1 @@ (vac 10)
    in
    check bool "none 1" true (is_none det);

    let det =
      creation 5 @@ creation 3 @@ creation 2 @@ creation 1 @@ (vac 10)
    in
    let l_a = [ 1 ; 2 ; 3 ; 5 ] in
    check (list int) "bitstring 1" l_a (to_list det);
    check bool "phase 1" true (phase det = Phase.Pos);

    let det =
      creation 1 @@ creation 3 @@ creation 2 @@ creation 5 @@ (vac 10)
    in
    check (list int) "bitstring 2" l_a (to_list det);
    check bool "phase 2" true (phase det = Phase.Neg);

    let l_b = [ 1 ; 3 ; 2 ; 5 ] in
    let det = of_list 10 l_b in
    check (list int ) "bitstring 3" l_a (to_list det);
    check bool "phase 3" true (phase det = Phase.Neg);

    check bool "none 1" true (annihilation 4 det |> is_none);

    let det =
      annihilation 1 det
    in
    check (list int ) "bitstring 4" (List.tl l_a) (to_list det);
    check bool "phase 4" true (phase det = Phase.Neg);

    let det =
      annihilation 3 det
    in
    check (list int ) "bitstring 5" [ 2 ; 5 ] (to_list det);
    check bool "phase 5" true (phase det = Phase.Pos);

    let det =
      annihilation 5 @@ annihilation 2 det
    in
    check (list int ) "bitstring 6" [] (to_list det);
    check bool "phase 6" true (phase det = Phase.Pos);

  in

  let test_exc_operators () =
    let l_a = [ 1 ; 2 ; 3 ; 5 ] in
    let det = of_list 10 l_a in
    let l_b = [ 1 ; 7 ; 3 ; 5 ] in
    let det2 = of_list 10 l_b in
    Format.printf "%a@." pp det;
    Format.printf "%a@." pp det2;
    Format.printf "%a@." pp (Spindeterminant.single_excitation 2 7 det);
    check bool "single 1" true (Spindeterminant.single_excitation 2 7 det = det2);
    check bool "single 2" true (Spindeterminant.single_excitation 4 7 det |> is_none);

    let l_c = [ 1 ; 7 ; 6 ; 5 ] in
    let det3 = of_list 10 l_c in
    check bool "double 1" true (double_excitation 2 7 3 6 det = det3);
    check bool "double 2" true (double_excitation 4 7 3 6 det |> is_none);
  in

  let test_exc_spindet () =
    let l_a = [ 1 ; 2 ; 3 ; 5 ] in
    let det = of_list 10 l_a in
    let l_b = [ 1 ; 7 ; 3 ; 5 ] in
    let det2 = of_list 10 l_b in
    check int "single" 1 (excitation_level det det2);
    check (list int) "holes" [2] (holes_of det det2);
    check (list int) "particles" [7] (particles_of det det2);
    let l_b = [ 1 ; 7 ; 3 ; 6 ] in
    let det2 = of_list 10 l_b in
    check int "double" 2 (excitation_level det det2);
    check (list int) "holes" [2 ; 5] (holes_of det det2);
    check (list int) "particles" [6 ; 7] (particles_of det det2);
  in
  [
    "Creation", `Quick, test_creation;
    "Creation/Annihilation Operators", `Quick, test_a_operators;
    "Excitation Operators", `Quick, test_exc_operators;
    "Excitation of spindet", `Quick, test_exc_spindet;
  ]