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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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55 changes: 36 additions & 19 deletions include/fiction/technology/charge_distribution_surface.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -334,7 +334,7 @@ class charge_distribution_surface<Lyt, false> : public Lyt
/**
* Returns the charge state of a given cell.
*
* @param c cell.
* @param c The cell.
* @return The charge state of the given cell.
*/
[[nodiscard]] sidb_charge_state get_charge_state(const typename Lyt::cell& c) const noexcept
Expand Down Expand Up @@ -363,10 +363,10 @@ class charge_distribution_surface<Lyt, false> : public Lyt
return -1;
}
/**
* Returns the distance between two cells
* Returns the distance between two cells.
*
* @param c1 the first cell to compare
* @param c2 the second cell to compare
* @param c1 the first cell to compare.
* @param c2 the second cell to compare.
* @return a constexpr double representing the distance between the two cells.
*/
[[nodiscard]] double get_distance_between_cells(const typename Lyt::cell& c1,
Expand All @@ -391,27 +391,51 @@ class charge_distribution_surface<Lyt, false> : public Lyt
return strg->dist_mat[index1][index2];
}
/**
* Calculates and returns the electrostatic potential between two cells.
* Returns the chargeless electrostatic potential between two cells.
*
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* @param c1 The first cell
* @param c2 The second cell
* @return The electrostatic potential between `c1` and `c2`.
* @note If the signed electrostatic potential \f$ V_{i,j} \f$ is required, use the `get_potential_between_sidbs`
* function.
*
* @param c1 The first cell.
* @param c2 The second cell.
* @return The chargeless electrostatic potential between `c1` and `c2`, i.e, \f$ \frac{V_{i,j}}{n_j} \f$.
*/
[[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`).
*
* @note If the chargeless electrostatic potential \f$ \frac{V_{i,j}}{n_j} \f$ is required, use the
* `get_chargeless_potential_between_sidbs` function.
*
* @param c1 The first cell.
* @param c2 The second cell.
* @return The electrostatic potential between `c1` and `c2`, i.e., \f$ V_{i,j} \f$.
*/
[[nodiscard]] double get_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 strg->pot_mat[static_cast<uint64_t>(index1)][static_cast<uint64_t>(index2)] *
charge_state_to_sign(get_charge_state(c2));
}

return 0;
}
/**
* Calculates and returns the potential of two indices.
*
* @param index1 The first index
* @param index2 The second index
* @param index1 The first index.
* @param index2 The second index.
* @return The potential between `index1` and `index2`.
*/
[[nodiscard]] double get_electrostatic_potential_by_indices(const uint64_t index1,
Expand Down Expand Up @@ -450,14 +474,7 @@ class charge_distribution_surface<Lyt, false> : public Lyt
const auto index1 = static_cast<std::size_t>(cell_to_index(c1));
const auto index2 = static_cast<std::size_t>(cell_to_index(c2));

if (strg->dist_mat[index1][index2] == 0)
{
return 0.0;
}

return (strg->phys_params.k / strg->dist_mat[index1][index2] *
std::exp(-strg->dist_mat[index1][index2] / strg->phys_params.lambda_tf) *
physical_constants::ELECTRIC_CHARGE);
return potential_between_sidbs_by_index(index1, index2);
}
/**
* The function calculates the electrostatic potential for each SiDB position (local).
Expand Down
61 changes: 50 additions & 11 deletions test/technology/charge_distribution_surface.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -3,6 +3,7 @@
//

#include <catch2/catch_template_test_macros.hpp>
#include <catch2/matchers/catch_matchers_floating_point.hpp>

#include <fiction/layouts/cartesian_layout.hpp>
#include <fiction/layouts/cell_level_layout.hpp>
Expand Down Expand Up @@ -143,18 +144,18 @@ 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 +208,16 @@ 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({2, 8, 0}, {2, 10, 1}) == 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));
}
}