Line data    Source code

       1             : // SPDX-FileCopyrightText: 2024 PairInteraction Developers
       2             : // SPDX-License-Identifier: LGPL-3.0-or-later
       3             : 
       4             : #include "pairinteraction/ket/KetAtomCreator.hpp"
       5             : 
       6             : #include "pairinteraction/database/Database.hpp"
       7             : #include "pairinteraction/ket/KetAtom.hpp"
       8             : 
       9             : #include <doctest/doctest.h>
      10             : 
      11             : namespace pairinteraction {
      12           1 : DOCTEST_TEST_CASE("create a ket for rubidium") {
      13           1 :     Database &database = Database::get_global_instance();
      14           1 :     auto ket = KetAtomCreator("Rb", 60, 1, 0.5, 0.5).create(database);
      15           1 :     DOCTEST_CHECK(ket->get_species() == "Rb");
      16           1 :     DOCTEST_CHECK(ket->get_quantum_number("n") == 60);
      17           1 :     DOCTEST_CHECK(ket->get_quantum_number("l") == 1);
      18           1 :     DOCTEST_CHECK(ket->get_quantum_number("f") == 0.5);
      19           1 :     DOCTEST_CHECK(ket->get_quantum_number("j") == 0.5);
      20           1 :     DOCTEST_CHECK(ket->get_quantum_number("m") == 0.5);
      21           1 :     DOCTEST_CHECK(ket->get_quantum_number("s") == 0.5);
      22           1 :     DOCTEST_CHECK(ket->get_quantum_number("parity") == -1); // odd parity
      23           1 :     DOCTEST_MESSAGE("Ket: ", *ket);
      24           1 : }
      25             : 
      26           1 : DOCTEST_TEST_CASE("create a ket for strontium") {
      27           1 :     Database &database = Database::get_global_instance();
      28           1 :     auto ket = KetAtomCreator()
      29           2 :                    .set_species("Sr88_singlet")
      30           2 :                    .set_quantum_number("n", 60)
      31           2 :                    .set_quantum_number("l", 1)
      32           2 :                    .set_quantum_number("f", 1)
      33           2 :                    .set_quantum_number("m", 0)
      34           2 :                    .set_quantum_number("s", 0)
      35           1 :                    .create(database);
      36           1 :     DOCTEST_CHECK(ket->get_species() == "Sr88_singlet");
      37           1 :     DOCTEST_CHECK(ket->get_quantum_number("n") == 60);
      38           1 :     DOCTEST_CHECK(ket->get_quantum_number("f") == 1);
      39           1 :     DOCTEST_CHECK(ket->get_quantum_number("m") == 0);
      40           1 :     DOCTEST_CHECK(ket->get_quantum_number("parity") == -1); // odd parity
      41           1 :     DOCTEST_MESSAGE("Ket: ", *ket);
      42           1 : }
      43             : 
      44           1 : DOCTEST_TEST_CASE("quantum number std fallback") {
      45           1 :     Database &database = Database::get_global_instance();
      46             : 
      47             :     // n, f, and nu have no "std_<name>" column in the states table, so get_quantum_number_std
      48             :     // falls back to 0.
      49           1 :     auto ket = KetAtomCreator("Rb", 60, 0, 0.5, 0.5).create(database);
      50           1 :     DOCTEST_CHECK(ket->get_quantum_number_std("n") == 0);
      51           1 :     DOCTEST_CHECK(ket->get_quantum_number_std("f") == 0);
      52           1 :     DOCTEST_CHECK(ket->get_quantum_number_std("nu") == 0);
      53             : 
      54             :     // For an MQDT ket, quantum numbers that do have a "std_<name>" column report a nonzero spread,
      55             :     // confirming the zeros above come from the fallback and not from a stored value that is zero.
      56           1 :     auto ket_mqdt = KetAtomCreator()
      57           2 :                         .set_species("Yb171_mqdt")
      58           2 :                         .set_quantum_number("nu", 60)
      59           2 :                         .set_quantum_number("l", 0)
      60           2 :                         .set_quantum_number("f", 0.5)
      61           2 :                         .set_quantum_number("m", 0.5)
      62           1 :                         .create(database);
      63           1 :     DOCTEST_CHECK(ket_mqdt->get_quantum_number_std("l") > 0);
      64           1 :     DOCTEST_CHECK(ket_mqdt->get_quantum_number_std("n") == 0);
      65           1 : }
      66             : 
      67           1 : DOCTEST_TEST_CASE("test for equality") {
      68           1 :     Database &database = Database::get_global_instance();
      69           1 :     auto ket1 = KetAtomCreator("Rb", 60, 1, 0.5, 0.5).create(database);
      70           1 :     auto ket2 = KetAtomCreator("Rb", 60, 1, 0.5, 0.5).create(database);
      71           1 :     auto ket3 = KetAtomCreator("Rb", 60, 1, 1.5, 0.5).create(database);
      72           1 :     DOCTEST_CHECK(*ket1 == *ket2);
      73           1 :     DOCTEST_CHECK(*ket1 != *ket3);
      74           1 : }
      75             : 
      76             : } // namespace pairinteraction