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Merge remote-tracking branch 'upstream/pyml' into pyml
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# Conflicts:
#	bindings/pyfiction/include/pyfiction/algorithms/simulation/sidb/quickexact.hpp
#	bindings/pyfiction/pyfiction.cpp
#	bindings/pyfiction/test/algorithms/simulation/sidb/test_critical_temperature.py
#	docs/layouts/coordinates.rst
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@Drewniok
Drewniok committed Dec 1, 2023
2 parents 2e89ae6 + e55398b commit 8bfe1de
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Showing 16 changed files with 78 additions and 184 deletions.
40 changes: 20 additions & 20 deletions bindings/pyfiction/include/pyfiction/algorithms/physical_design/design_sidb_gates.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -23,50 +23,50 @@ namespace detail

template <typename Lyt>
void design_sidb_gates(pybind11::module& m)
{
using namespace pybind11::literals;

m.def("design_sidb_gates", &fiction::design_sidb_gates<Lyt, py_tt>, "skeleton"_a, "spec"_a,
"params"_a = fiction::design_sidb_gates_params{}, DOC(fiction_design_sidb_gates));
}

} // namespace detail

inline void design_sidb_gates(pybind11::module& m)
{
namespace py = pybind11;
using namespace py::literals;

/**
* Design approach selector type.
*/
pybind11::enum_<fiction::design_sidb_gates_params::design_sidb_gates_mode>(
pybind11::enum_<typename fiction::design_sidb_gates_params<Lyt>::design_sidb_gates_mode>(
m, "design_sidb_gates_mode", DOC(fiction_design_sidb_gates_params_design_sidb_gates_mode))
.value("EXHAUSTIVE", fiction::design_sidb_gates_params::design_sidb_gates_mode::EXHAUSTIVE,
.value("EXHAUSTIVE", fiction::design_sidb_gates_params<Lyt>::design_sidb_gates_mode::EXHAUSTIVE,
DOC(fiction_design_sidb_gates_params_design_sidb_gates_mode_EXHAUSTIVE))
.value("RANDOM", fiction::design_sidb_gates_params::design_sidb_gates_mode::RANDOM,
.value("RANDOM", fiction::design_sidb_gates_params<Lyt>::design_sidb_gates_mode::RANDOM,
DOC(fiction_design_sidb_gates_params_design_sidb_gates_mode_RANDOM))

;

/**
* Parameters.
*/
py::class_<fiction::design_sidb_gates_params>(m, "design_sidb_gates_params", DOC(fiction_design_sidb_gates_params))
py::class_<fiction::design_sidb_gates_params<Lyt>>(m, "design_sidb_gates_params",
DOC(fiction_design_sidb_gates_params))
.def(py::init<>())
.def_readwrite("phys_params", &fiction::design_sidb_gates_params::phys_params,
.def_readwrite("phys_params", &fiction::design_sidb_gates_params<Lyt>::phys_params,
DOC(fiction_design_sidb_gates_params_phys_params))
.def_readwrite("design_mode", &fiction::design_sidb_gates_params::design_mode,
.def_readwrite("design_mode", &fiction::design_sidb_gates_params<Lyt>::design_mode,
DOC(fiction_design_sidb_gates_params_design_mode))
.def_readwrite("canvas", &fiction::design_sidb_gates_params::canvas,
.def_readwrite("canvas", &fiction::design_sidb_gates_params<Lyt>::canvas,
DOC(fiction_design_sidb_gates_params_canvas))
.def_readwrite("number_of_sidbs", &fiction::design_sidb_gates_params::number_of_sidbs,
.def_readwrite("number_of_sidbs", &fiction::design_sidb_gates_params<Lyt>::number_of_sidbs,
DOC(fiction_design_sidb_gates_params_number_of_sidbs))
.def_readwrite("sim_engine", &fiction::design_sidb_gates_params::sim_engine,
.def_readwrite("sim_engine", &fiction::design_sidb_gates_params<Lyt>::sim_engine,
DOC(fiction_design_sidb_gates_params_sim_engine))

;

detail::design_sidb_gates<py_charge_distribution_surface>(m);
m.def("design_sidb_gates", &fiction::design_sidb_gates<Lyt, py_tt>, "skeleton"_a, "spec"_a,
"params"_a = fiction::design_sidb_gates_params<Lyt>{}, DOC(fiction_design_sidb_gates));
}

} // namespace detail

inline void design_sidb_gates(pybind11::module& m)
{
detail::design_sidb_gates<py_sidb_layout>(m);
}

} // namespace pyfiction
Expand Down
2 changes: 1 addition & 1 deletion ...ion/include/pyfiction/algorithms/simulation/sidb/assess_physical_population_stability.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -78,7 +78,7 @@ inline void assess_physical_population_stability(pybind11::module& m)

// NOTE be careful with the order of the following calls! Python will resolve the first matching overload!

detail::assess_physical_population_stability<py_charge_distribution_surface>(m);
detail::assess_physical_population_stability<py_sidb_layout>(m);
}

} // namespace pyfiction
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10 changes: 3 additions & 7 deletions ...ction/include/pyfiction/algorithms/simulation/sidb/exhaustive_ground_state_simulation.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -24,12 +24,8 @@ void exhaustive_ground_state_simulation(pybind11::module& m)
{
using namespace pybind11::literals;

m.def(
"exhaustive_ground_state_simulation",
[](const Lyt& lyt,
const fiction::sidb_simulation_parameters& params) -> fiction::sidb_simulation_result<py_cds_base>
{ return fiction::exhaustive_ground_state_simulation<py_cds_base>(lyt, params); },
"lyt"_a, "params"_a = fiction::sidb_simulation_parameters{}, DOC(fiction_exhaustive_ground_state_simulation));
m.def("exhaustive_ground_state_simulation", &fiction::exhaustive_ground_state_simulation<py_sidb_layout>, "lyt"_a,
"params"_a = fiction::sidb_simulation_parameters{}, DOC(fiction_exhaustive_ground_state_simulation));
}

} // namespace detail
Expand All @@ -38,7 +34,7 @@ inline void exhaustive_ground_state_simulation(pybind11::module& m)
{
// NOTE be careful with the order of the following calls! Python will resolve the first matching overload!

detail::exhaustive_ground_state_simulation<py_charge_distribution_surface>(m);
detail::exhaustive_ground_state_simulation<py_sidb_layout>(m);
}

} // namespace pyfiction
Expand Down
19 changes: 3 additions & 16 deletions bindings/pyfiction/include/pyfiction/algorithms/simulation/sidb/quickexact.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -50,21 +50,8 @@ void quickexact(pybind11::module& m)

;

m.def(
"quickexact",
[](const Lyt& lyt,
const typename fiction::quickexact_params<Lyt>& params) -> fiction::sidb_simulation_result<py_cds_base>
{
fiction::quickexact_params<py_cds_base> converted_params{
params.simulation_parameters,
params.base_number_detection == fiction::quickexact_params<Lyt>::automatic_base_number_detection::ON ?
fiction::quickexact_params<py_cds_base>::automatic_base_number_detection::ON :
fiction::quickexact_params<py_cds_base>::automatic_base_number_detection::OFF,
params.local_external_potential, params.global_potential};

return fiction::quickexact<py_cds_base>(lyt, converted_params);
},
"lyt"_a, "params"_a = fiction::quickexact_params<Lyt>{}, DOC(fiction_quickexact));
m.def("quickexact", &fiction::quickexact<Lyt>, "lyt"_a, "params"_a = fiction::quickexact_params<Lyt>{},
DOC(fiction_quickexact));
}

} // namespace detail
Expand All @@ -73,7 +60,7 @@ inline void quickexact(pybind11::module& m)
{
// NOTE be careful with the order of the following calls! Python will resolve the first matching overload!

detail::quickexact<py_charge_distribution_surface>(m);
detail::quickexact<py_sidb_layout>(m);
}

} // namespace pyfiction
Expand Down
8 changes: 2 additions & 6 deletions bindings/pyfiction/include/pyfiction/algorithms/simulation/sidb/quicksim.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -24,11 +24,7 @@ void quicksim(pybind11::module& m)
{
using namespace pybind11::literals;

m.def(
"quicksim",
[](const Lyt& lyt, const fiction::quicksim_params& params) -> fiction::sidb_simulation_result<py_cds_base>
{ return fiction::quicksim<py_cds_base>(lyt, params); },
"lyt"_a, "params"_a = fiction::quicksim_params{}, DOC(fiction_quicksim));
m.def("quicksim", &fiction::quicksim<Lyt>, "lyt"_a, "params"_a = fiction::quicksim_params{}, DOC(fiction_quicksim));
}

} // namespace detail
Expand All @@ -53,7 +49,7 @@ inline void quicksim(pybind11::module& m)

// NOTE be careful with the order of the following calls! Python will resolve the first matching overload!

detail::quicksim<py_charge_distribution_surface>(m);
detail::quicksim<py_sidb_layout>(m);
}

} // namespace pyfiction
Expand Down
2 changes: 1 addition & 1 deletion ...s/pyfiction/include/pyfiction/algorithms/simulation/sidb/random_sidb_layout_generator.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -71,7 +71,7 @@ inline void random_sidb_layout_generator(pybind11::module& m)
{
// NOTE be careful with the order of the following calls! Python will resolve the first matching overload!

detail::random_sidb_layout_generator<py_charge_distribution_surface>(m);
detail::random_sidb_layout_generator<py_sidb_layout>(m);
}

} // namespace pyfiction
Expand Down
2 changes: 1 addition & 1 deletion bindings/pyfiction/include/pyfiction/algorithms/simulation/sidb/sidb_simulation_result.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -49,7 +49,7 @@ inline void sidb_simulation_result(pybind11::module& m)
{
// NOTE be careful with the order of the following calls! Python will resolve the first matching overload!

detail::sidb_simulation_result<py_cds_base>(m);
detail::sidb_simulation_result<py_sidb_layout>(m);
}

} // namespace pyfiction
Expand Down
10 changes: 6 additions & 4 deletions bindings/pyfiction/include/pyfiction/inout/write_location_and_ground_state.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -9,10 +9,12 @@
#include "pyfiction/types.hpp"

#include <fiction/io/write_location_and_ground_state.hpp>
#include <fiction/utils/layout_utils.hpp>

#include <string_view>

#include <pybind11/pybind11.h>
#include <pybind11/stl.h>

namespace pyfiction
{
Expand All @@ -27,16 +29,16 @@ void write_location_and_ground_state(pybind11::module& m)

m.def(
"write_location_and_ground_state",
[](const fiction::sidb_simulation_result<Lyt>& lyt, const std::string_view& filename)
{ fiction::write_location_and_ground_state(lyt, filename); },
"layout"_a, "filename"_a, DOC(fiction_write_location_and_ground_state));
[](const fiction::sidb_simulation_result<Lyt>& sim_result, const std::string_view& filename)
{ fiction::write_location_and_ground_state(sim_result, filename); },
"sim_result"_a, "filename"_a, DOC(fiction_write_location_and_ground_state));
}

} // namespace detail

inline void write_location_and_ground_state(pybind11::module& m)
{
detail::write_location_and_ground_state<py_cds_base>(m);
detail::write_location_and_ground_state<py_sidb_layout>(m);
}

} // namespace pyfiction
Expand Down
2 changes: 1 addition & 1 deletion bindings/pyfiction/include/pyfiction/inout/write_sqd_sim_result.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -36,7 +36,7 @@ void write_sqd_sim_result(pybind11::module& m)

inline void write_sqd_sim_result(pybind11::module& m)
{
detail::write_sqd_sim_result<py_cds_base>(m);
detail::write_sqd_sim_result<py_sidb_layout>(m);
}

} // namespace pyfiction
Expand Down
88 changes: 5 additions & 83 deletions bindings/pyfiction/include/pyfiction/technology/charge_distribution_surface.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -65,96 +65,18 @@ inline void charge_distribution_surface(pybind11::module& m)

/**
* Charge distribution surface.
*
* @note The charge_distribution_type in pyfiction must be viewed as a stand-alone type. It does not inherit from
* any other existing pyfiction types. Therefore, it does not implement functions of lower level layout types.
*/
py::class_<py_charge_distribution_surface>(m, "charge_distribution_surface",
DOC(fiction_charge_distribution_surface))
py::class_<py_charge_distribution_surface, py_sidb_layout>(m, "charge_distribution_surface",
DOC(fiction_charge_distribution_surface))
.def(py::init<const fiction::sidb_simulation_parameters&, const fiction::sidb_charge_state&>(),
"params"_a = fiction::sidb_simulation_parameters{}, "cs"_a = fiction::sidb_charge_state::NEGATIVE)

.def(py::init<const py_cds_base&, const fiction::sidb_simulation_parameters&,
.def(py::init<const py_sidb_layout&, const fiction::sidb_simulation_parameters&,
const fiction::sidb_charge_state&>(),
"lyt"_a, "params"_a = fiction::sidb_simulation_parameters{}, "cs"_a = fiction::sidb_charge_state::NEGATIVE)

.def(py::init<const py_charge_distribution_surface&>(), "lyt"_a)

.def(py::init(
[](const py_sidb_layout& layout,
const fiction::sidb_simulation_parameters& params = fiction::sidb_simulation_parameters{},
const fiction::sidb_charge_state& cs = fiction::sidb_charge_state::NEGATIVE)
{
auto converted_layout = fiction::convert_to_siqad_coordinates(layout);
return fiction::charge_distribution_surface(converted_layout, params, cs);
}),
"layout"_a, "params"_a = fiction::sidb_simulation_parameters{},
"cs"_a = fiction::sidb_charge_state::NEGATIVE)

.def(
"x", [](const py_charge_distribution_surface& lyt) { return lyt.x(); }, DOC(fiction_cartesian_layout_x))
.def(
"y", [](const py_charge_distribution_surface& lyt) { return lyt.y(); }, DOC(fiction_cartesian_layout_y))
.def(
"z", [](const py_charge_distribution_surface& lyt) { return lyt.z(); }, DOC(fiction_cartesian_layout_z))
.def(
"area", [](const py_charge_distribution_surface& lyt) { return lyt.area(); },
DOC(fiction_cartesian_layout_area))
.def(
"resize",
[](py_charge_distribution_surface& lyt, const py_siqad_coordinate& dimension) { lyt.resize(dimension); },
"dimension"_a, DOC(fiction_cartesian_layout_resize))

.def(
"get_cell_type",
[](const py_charge_distribution_surface& lyt, const fiction::cell<py_charge_distribution_surface>& c)
{ return lyt.get_cell_type(c); },
"c"_a, DOC(fiction_cell_level_layout_get_cell_type))
.def(
"is_empty_cell",
[](const py_charge_distribution_surface& lyt, const fiction::cell<py_charge_distribution_surface>& c)
{ return lyt.is_empty_cell(c); },
"c"_a, DOC(fiction_cell_level_layout_is_empty_cell))
.def(
"assign_cell_name",
[](py_charge_distribution_surface& lyt, const fiction::cell<py_charge_distribution_surface>& c,
const std::string& n) { lyt.assign_cell_name(c, n); },
"c"_a, "n"_a, DOC(fiction_cell_level_layout_assign_cell_name))
.def(
"get_cell_name",
[](const py_charge_distribution_surface& lyt, const fiction::cell<py_charge_distribution_surface>& c)
{ return lyt.get_cell_name(c); },
"c"_a, DOC(fiction_cell_level_layout_get_cell_name))
.def(
"set_layout_name",
[](py_charge_distribution_surface& lyt, const std::string& name) { lyt.set_layout_name(name); }, "name"_a,
DOC(fiction_cell_level_layout_set_layout_name))
.def(
"get_layout_name", [](const py_charge_distribution_surface& lyt) { return lyt.get_layout_name(); },
DOC(fiction_cell_level_layout_get_layout_name))
.def(
"num_cells", [](const py_charge_distribution_surface& lyt) { return lyt.num_cells(); },
DOC(fiction_cell_level_layout_num_cells))
.def(
"is_empty", [](const py_charge_distribution_surface& lyt) { return lyt.is_empty(); },
DOC(fiction_cell_level_layout_is_empty))
.def(
"num_pis", [](const py_charge_distribution_surface& lyt) { return lyt.num_pis(); },
DOC(fiction_cell_level_layout_num_pis))
.def(
"num_pos", [](const py_charge_distribution_surface& lyt) { return lyt.num_pos(); },
DOC(fiction_cell_level_layout_num_pos))
.def(
"is_pi",
[](const py_charge_distribution_surface& lyt, const fiction::cell<py_charge_distribution_surface>& c)
{ return lyt.is_pi(c); },
"c"_a, DOC(fiction_cell_level_layout_is_pi))
.def(
"is_po",
[](const py_charge_distribution_surface& lyt, const fiction::cell<py_charge_distribution_surface>& c)
{ return lyt.is_po(c); },
"c"_a, DOC(fiction_cell_level_layout_is_po))

.def("get_all_sidb_locations_in_nm", &py_charge_distribution_surface::get_all_sidb_locations_in_nm)
.def("assign_cell_type", &py_charge_distribution_surface::assign_cell_type, "c"_a, "ct"_a)
.def("assign_physical_parameters", &py_charge_distribution_surface::assign_physical_parameters, "params"_a)
Expand Down Expand Up @@ -290,7 +212,7 @@ inline void charge_distribution_surface(pybind11::module& m)

.def(
"is_within_bounds",
[](const py_charge_distribution_surface& lyt, const py_siqad_coordinate& c)
[](const py_charge_distribution_surface& lyt, const fiction::coordinate<py_charge_distribution_surface>& c)
{ return lyt.is_within_bounds(c); },
"c"_a, DOC(fiction_cartesian_layout_is_within_bounds))

Expand All @@ -307,7 +229,7 @@ inline void charge_distribution_surface(pybind11::module& m)
[](const py_charge_distribution_surface& lyt)
{
std::stringstream ss;
print_layout(lyt, ss);
print_layout(fiction::convert_to_siqad_coordinates(lyt), ss);
return ss.str();
})

Expand Down
13 changes: 2 additions & 11 deletions bindings/pyfiction/include/pyfiction/types.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -107,18 +107,9 @@ using py_inml_layout = py_cartesian_cell_layout<fiction::inml_technology>;
using py_sidb_layout = py_cartesian_cell_layout<fiction::sidb_technology>;
/**
* Charge distribution surface. This is a special SiDB cell-level layout that is used for the SiDB simulation
* algorithms. It is based on SiQAD coordinates.
* algorithms.
*/
using py_charge_distribution_surface = fiction::charge_distribution_surface<fiction::cell_level_layout<
fiction::sidb_technology, fiction::clocked_layout<fiction::cartesian_layout<fiction::siqad::coord_t>>>>;
/**
* The base type of py_charge_distribution_surface to prevent double inference of charge_distribution_surface in the
* template parameter of many functions, which would yield a type not registered in pyfiction. This type is not
* explicitly exposed. Don't use it on its own elsewhere unless you know what you are doing.
*/
using py_cds_base =
fiction::cell_level_layout<fiction::sidb_technology,
fiction::clocked_layout<fiction::cartesian_layout<fiction::siqad::coord_t>>>;
using py_charge_distribution_surface = fiction::charge_distribution_surface<py_sidb_layout>;

} // namespace pyfiction

Expand Down
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