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🎨 added a new function get_chargeless_potential_between_sidbs #138

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merged 8 commits into from
Mar 14, 2023
Merged

🎨 added a new function get_chargeless_potential_between_sidbs #138

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83ba559
:art: added a new function ``get_chargeless_potential_between_sidbs``…
Mar 10, 2023
2c5a850
:art: added a new function ``get_chargeless_potential_between_sidbs``…
Mar 10, 2023
7afec53
Merge branch 'main' into make_use_of_potential_equation_easier
Drewniok Mar 12, 2023
0ec277d
Merge branch 'main' into make_use_of_potential_equation_easier
marcelwa Mar 12, 2023
f7df646
:memo: Adjusted documentation
marcelwa Mar 13, 2023
348ad47
Merge branch 'main' into make_use_of_potential_equation_easier
Drewniok Mar 13, 2023
2a73c82
Merge branch 'main' into make_use_of_potential_equation_easier
Mar 13, 2023
0fceb87
:white_check_mark: added test for uncovered part
Mar 13, 2023
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23 changes: 21 additions & 2 deletions include/fiction/technology/charge_distribution_surface.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -391,7 +391,25 @@ class charge_distribution_surface<Lyt, false> : public Lyt
return strg->dist_mat[index1][index2];
}
/**
* Calculates and returns the electrostatic potential between two cells.
* Calculates and returns the chargeless electrostatic potential between two cells.
*
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* @param c1 The first cell
* @param c2 The second cell
* @return The chargeless electrostatic potential between `c1` and `c2` (V_i,j / n_j).
*/
[[nodiscard]] double get_chargeless_potential_between_sidbs(const typename Lyt::cell& c1,
const typename Lyt::cell& c2) const noexcept
{
if (const auto index1 = cell_to_index(c1), index2 = cell_to_index(c2); (index1 != -1) && (index2 != -1))
{
return strg->pot_mat[static_cast<uint64_t>(index1)][static_cast<uint64_t>(index2)];
}

return 0;
}

/**
* Calculates and returns the electrostatic potential at one cell (c1) generated by another cell (c2).
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*
* @param c1 The first cell
* @param c2 The second cell
Expand All @@ -402,7 +420,8 @@ class charge_distribution_surface<Lyt, false> : public Lyt
{
if (const auto index1 = cell_to_index(c1), index2 = cell_to_index(c2); (index1 != -1) && (index2 != -1))
{
return strg->pot_mat[static_cast<uint64_t>(index1)][static_cast<uint64_t>(index2)];
return strg->pot_mat[static_cast<uint64_t>(index1)][static_cast<uint64_t>(index2)] *
charge_state_to_sign(get_charge_state(c2));
}

return 0;
Expand Down
61 changes: 50 additions & 11 deletions test/technology/charge_distribution_surface.cpp
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Expand Up @@ -4,6 +4,8 @@

#include <catch2/catch_template_test_macros.hpp>

#include "catch2/matchers/catch_matchers_floating_point.hpp"
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#include <fiction/layouts/cartesian_layout.hpp>
#include <fiction/layouts/cell_level_layout.hpp>
#include <fiction/layouts/clocked_layout.hpp>
Expand Down Expand Up @@ -143,18 +145,18 @@ TEMPLATE_TEST_CASE(
// all SiDBs' charge states are set to neutral
charge_layout.set_all_charge_states(sidb_charge_state::NEUTRAL);
//
// // read SiDBs' charge states
// read SiDBs' charge states
CHECK(charge_layout.get_charge_state({5, 4}) == sidb_charge_state::NEUTRAL);
CHECK(charge_layout.get_charge_state({5, 5}) == sidb_charge_state::NEUTRAL);
CHECK(charge_layout.get_charge_state({5, 6}) == sidb_charge_state::NEUTRAL);
CHECK(charge_layout.get_charge_state({5, 1}) == sidb_charge_state::NONE);
//
charge_layout.set_all_charge_states(sidb_charge_state::NEUTRAL);
//
// // all SiDBs' charge states are set to negative
// all SiDBs' charge states are set to negative
charge_layout.set_all_charge_states(sidb_charge_state::NEGATIVE);
//
// // read SiDBs' charge states
// read SiDBs' charge states
CHECK(charge_layout.get_charge_state({5, 4}) == sidb_charge_state::NEGATIVE);
CHECK(charge_layout.get_charge_state({5, 5}) == sidb_charge_state::NEGATIVE);
CHECK(charge_layout.get_charge_state({5, 6}) == sidb_charge_state::NEGATIVE);
Expand Down Expand Up @@ -207,15 +209,15 @@ TEMPLATE_TEST_CASE(
lyt.assign_cell_type({1, 10, 1}, TestType::cell_type::NORMAL);
charge_distribution_surface charge_layout{lyt, sidb_simulation_parameters{}};

CHECK(charge_layout.get_potential_between_sidbs({0, 0, 0}, {0, 0, 0}) == 0.0);
CHECK(charge_layout.get_potential_between_sidbs({1, 8, 0}, {1, 8, 0}) == 0.0);
CHECK(charge_layout.get_potential_between_sidbs({1, 10, 1}, {1, 10, 1}) == 0.0);
CHECK((charge_layout.get_potential_between_sidbs({1, 8, 0}, {0, 0, 0}) - 0.0121934043) < 0.00000001);
CHECK(std::abs(charge_layout.get_potential_between_sidbs({0, 0, 0}, {1, 10, 1}) -
charge_layout.get_potential_between_sidbs({1, 10, 1}, {0, 0, 0})) <
CHECK(charge_layout.get_chargeless_potential_between_sidbs({0, 0, 0}, {0, 0, 0}) == 0.0);
CHECK(charge_layout.get_chargeless_potential_between_sidbs({1, 8, 0}, {1, 8, 0}) == 0.0);
CHECK(charge_layout.get_chargeless_potential_between_sidbs({1, 10, 1}, {1, 10, 1}) == 0.0);
CHECK((charge_layout.get_chargeless_potential_between_sidbs({1, 8, 0}, {0, 0, 0}) - 0.0121934043) < 0.00000001);
CHECK(std::abs(charge_layout.get_chargeless_potential_between_sidbs({0, 0, 0}, {1, 10, 1}) -
charge_layout.get_chargeless_potential_between_sidbs({1, 10, 1}, {0, 0, 0})) <
physical_constants::POP_STABILITY_ERR);
CHECK(charge_layout.get_potential_between_sidbs({0, 0, 0}, {1, 8, 0}) >
charge_layout.get_potential_between_sidbs({1, 10, 1}, {0, 0, 0}));
CHECK(charge_layout.get_chargeless_potential_between_sidbs({0, 0, 0}, {1, 8, 0}) >
charge_layout.get_chargeless_potential_between_sidbs({1, 10, 1}, {0, 0, 0}));
}
//
SECTION("Local Potential")
Expand Down Expand Up @@ -372,4 +374,41 @@ TEMPLATE_TEST_CASE(
charge_layout_new.increase_charge_index_by_one();
CHECK(charge_layout_new.get_charge_index().first == 15);
}

SECTION("using chargeless and normal potential function")
{
TestType lyt_new{{11, 11}};
const sidb_simulation_parameters params{3, -0.32, 5.0 * 1E-9, 3.84 * 1E-10, 7.68 * 1E-10, 2.25 * 1E-10};

lyt_new.assign_cell_type({0, 0, 1}, TestType::cell_type::NORMAL);
lyt_new.assign_cell_type({1, 3, 0}, TestType::cell_type::NORMAL);
lyt_new.assign_cell_type({10, 5, 1}, TestType::cell_type::NORMAL);

charge_distribution_surface charge_layout_new{lyt_new, params};

charge_layout_new.assign_charge_state({0, 0, 1}, sidb_charge_state::NEGATIVE);
charge_layout_new.assign_charge_state({1, 3, 0}, sidb_charge_state::POSITIVE);
charge_layout_new.assign_charge_state({10, 5, 1}, sidb_charge_state::NEUTRAL);

CHECK(charge_layout_new.get_charge_state({0, 0, 1}) == sidb_charge_state::NEGATIVE);
CHECK(charge_layout_new.get_charge_state({1, 3, 0}) == sidb_charge_state::POSITIVE);
CHECK(charge_layout_new.get_charge_state({10, 5, 1}) == sidb_charge_state::NEUTRAL);

CHECK(charge_layout_new.get_chargeless_potential_between_sidbs({0, 0, 1}, {1, 3, 0}) > 0);
CHECK(charge_layout_new.get_potential_between_sidbs({0, 0, 1}, {1, 3, 0}) > 0);

CHECK(charge_layout_new.get_chargeless_potential_between_sidbs({0, 0, 1}, {10, 5, 1}) > 0);
CHECK(charge_layout_new.get_potential_between_sidbs({0, 0, 1}, {10, 5, 1}) == 0.0);

CHECK(charge_layout_new.get_chargeless_potential_between_sidbs({10, 5, 1}, {0, 0, 1}) > 0);
CHECK(charge_layout_new.get_potential_between_sidbs({10, 5, 1}, {0, 0, 1}) < 0);

CHECK_THAT(charge_layout_new.get_potential_between_sidbs({10, 5, 1}, {0, 0, 1}) +
charge_layout_new.get_chargeless_potential_between_sidbs({10, 5, 1}, {0, 0, 1}),
Catch::Matchers::WithinAbs(0.000000, 0.000001));

CHECK_THAT(charge_layout_new.get_potential_between_sidbs({0, 0, 1}, {1, 3, 0}) -
charge_layout_new.get_chargeless_potential_between_sidbs({0, 0, 1}, {1, 3, 0}),
Catch::Matchers::WithinAbs(0.000000, 0.000001));
}
}