✨ QuickTrace: An Efficient Contour Tracing Algorithm for Defect Robustness Simulation

.gitignore

@@ -67,3 +67,6 @@ venv/
 *.tar.*
 *.7z
 *.rar
+
+# Jupyter notebook
+*.ipynb

bindings/mnt/pyfiction/include/pyfiction/algorithms/physical_design/design_sidb_gates.hpp

@@ -68,8 +68,7 @@ inline void design_sidb_gates(pybind11::module& m)
         .def_readwrite("operational_params",
                        &fiction::design_sidb_gates_params<fiction::offset::ucoord_t>::operational_params,
                        DOC(fiction_design_sidb_gates_params_operational_params))
-        .def_readwrite("design_mode", &fiction::design_sidb_gates_params<fiction::offset::ucoord_t>::design_mode,
-                       DOC(fiction_design_sidb_gates_params_design_mode))
+        .def_readwrite("design_mode", &fiction::design_sidb_gates_params<fiction::offset::ucoord_t>::design_mode)
         .def_readwrite("canvas", &fiction::design_sidb_gates_params<fiction::offset::ucoord_t>::canvas,
                        DOC(fiction_design_sidb_gates_params_canvas))
         .def_readwrite("number_of_sidbs",

bindings/mnt/pyfiction/include/pyfiction/algorithms/simulation/sidb/assess_physical_population_stability.hpp

@@ -13,19 +13,36 @@
 #include <pybind11/pybind11.h>
 #include <pybind11/stl.h>
 
+#include <string>
+
 namespace pyfiction
 {
 
 namespace detail
 {
 
 template <typename Lyt>
-void assess_physical_population_stability(pybind11::module& m)
+void assess_physical_population_stability(pybind11::module& m, const std::string& lattice = "")
 {
     namespace py = pybind11;
-    namespace py = pybind11;
 
-    m.def("assess_physical_population_stability", &fiction::assess_physical_population_stability<Lyt>, py::arg("lyt"),
+    py::class_<fiction::population_stability_information<Lyt>>(
+        m, fmt::format("population_stability_information{}", lattice).c_str(),
+        DOC(fiction_population_stability_information))
+        .def(py::init<>())
+        .def_readwrite("critical_cell", &fiction::population_stability_information<Lyt>::critical_cell,
+                       DOC(fiction_population_stability_information_critical_cell))
+        .def_readwrite("transition_from_to_with_cell_and_required_pot",
+                       &fiction::population_stability_information<Lyt>::transition_from_to_with_cell_and_required_pot,
+                       DOC(fiction_population_stability_information_transition_from_to_with_cell_and_required_pot))
+        .def_readwrite("distance_corresponding_to_potential",
+                       &fiction::population_stability_information<Lyt>::distance_corresponding_to_potential,
+                       DOC(fiction_population_stability_information_distance_corresponding_to_potential))
+        .def_readwrite("system_energy", &fiction::population_stability_information<Lyt>::system_energy,
+                       DOC(fiction_population_stability_information_system_energy));
+
+    m.def(fmt::format("assess_physical_population_stability{}", lattice).c_str(),
+          &fiction::assess_physical_population_stability<Lyt>, py::arg("lyt"),
           py::arg("params") = fiction::assess_physical_population_stability_params{},
           DOC(fiction_assess_physical_population_stability));
 }
@@ -46,27 +63,6 @@ inline void assess_physical_population_stability(pybind11::module& m)
         .value("POSITIVE_TO_NEUTRAL", fiction::transition_type::POSITIVE_TO_NEUTRAL,
                DOC(fiction_transition_type_POSITIVE_TO_NEUTRAL));
 
-    py::class_<fiction::population_stability_information<fiction::offset::ucoord_t>>(
-        m, "population_stability_information", DOC(fiction_population_stability_information))
-        .def(py::init<>())
-        .def_readwrite("critical_cell",
-                       &fiction::population_stability_information<fiction::offset::ucoord_t>::critical_cell,
-                       DOC(fiction_population_stability_information_critical_cell))
-        .def_readwrite("transition_from_to",
-                       &fiction::population_stability_information<fiction::offset::ucoord_t>::transition_from_to,
-                       DOC(fiction_population_stability_information_transition_from_to))
-        .def_readwrite("minimum_potential_difference_to_transition",
-                       &fiction::population_stability_information<
-                           fiction::offset::ucoord_t>::minimum_potential_difference_to_transition,
-                       DOC(fiction_population_stability_information_minimum_potential_difference_to_transition))
-        .def_readwrite(
-            "distance_corresponding_to_potential",
-            &fiction::population_stability_information<fiction::offset::ucoord_t>::distance_corresponding_to_potential,
-            DOC(fiction_population_stability_information_distance_corresponding_to_potential))
-        .def_readwrite("system_energy",
-                       &fiction::population_stability_information<fiction::offset::ucoord_t>::system_energy,
-                       DOC(fiction_population_stability_information_system_energy));
-
     /**
      * Parameters.
      */
@@ -83,8 +79,8 @@ 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_sidb_100_lattice>(m);
-    detail::assess_physical_population_stability<py_sidb_111_lattice>(m);
+    detail::assess_physical_population_stability<py_sidb_100_lattice>(m, "_100");
+    detail::assess_physical_population_stability<py_sidb_111_lattice>(m, "_111");
 }
 
 }  // namespace pyfiction

bindings/mnt/pyfiction/include/pyfiction/algorithms/simulation/sidb/determine_physically_valid_parameters.hpp

@@ -14,6 +14,8 @@
 #include <pybind11/pybind11.h>
 #include <pybind11/stl.h>
 
+#include <cstdint>
+
 namespace pyfiction
 {
 
@@ -26,19 +28,17 @@ void determine_physically_valid_parameters(pybind11::module& m)
     namespace py = pybind11;
 
     m.def("determine_physically_valid_parameters", &fiction::determine_physically_valid_parameters<Lyt>, py::arg("cds"),
-          py::arg("params") = fiction::operational_domain_params{});
+          py::arg("params") = fiction::operational_domain_params{}, DOC(fiction_determine_physically_valid_parameters));
 }
 
 }  // namespace detail
 
 inline void determine_physically_valid_parameters(pybind11::module& m)
 {
     namespace py = pybind11;
-    namespace py = pybind11;
 
     py::class_<fiction::operational_domain<fiction::parameter_point, uint64_t>>(m, "physically_valid_parameters_domain",
                                                                                 DOC(fiction_operational_domain))
-        // todo add docu
         .def(py::init<>())
         .def_readwrite("dimensions", &fiction::operational_domain<fiction::parameter_point, uint64_t>::dimensions)
 
@@ -47,14 +47,16 @@ inline void determine_physically_valid_parameters(pybind11::module& m)
             [](const fiction::operational_domain<fiction::parameter_point, uint64_t>& domain,
                const fiction::parameter_point&                                        pp)
             {
-                try
-                {
-                    return domain.get_value(pp);
-                }
-                catch (const std::out_of_range& e)
+                auto result = domain.get_value(pp);
+
+                // Check if the result has a value
+                if (result.has_value())
                 {
-                    throw py::value_error(e.what());
+                    return result.value();
                 }
+                // If no value is present, raise a Python ValueError
+                throw py::value_error(
+                    "Invalid parameter point: no excited state number available for the provided parameter.");
             },
             py::arg("pp"));
 

bindings/mnt/pyfiction/include/pyfiction/algorithms/simulation/sidb/displacement_robustness_domain.hpp

@@ -14,6 +14,8 @@
 #include <pybind11/pybind11.h>
 #include <pybind11/stl.h>
 
+#include <string>
+
 namespace pyfiction
 {
 

bindings/mnt/pyfiction/include/pyfiction/layouts/clocked_layout.hpp

@@ -28,7 +28,6 @@ template <typename LytBase, typename ClockedLyt>
 void clocked_layout(pybind11::module& m, const std::string& topology)
 {
     namespace py = pybind11;
-    namespace py = pybind11;
 
     /**
      * Clocked Cartesian layout.