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

bindings/mnt/pyfiction/__init__.py

@@ -36,8 +36,6 @@
     apply_topolinano_library,
     # Technology
     area,
-    assess_physical_population_stability,
-    assess_physical_population_stability_params,
     automatic_base_number_detection,
     bdl_input_iterator_100,
     bdl_input_iterator_111,
@@ -48,7 +46,7 @@
     bdl_wire_selection,
     calculate_energy_and_state_type_with_kinks_accepted,
     calculate_energy_and_state_type_with_kinks_rejected,
-    can_positive_charges_occur,
+    can_positive_charge_occur,
     cartesian_gate_layout,
     # Layouts
     cartesian_layout,
@@ -69,10 +67,7 @@
     color_mode,
     color_routing,
     color_routing_params,
-    compute_operational_ratio,
-    compute_operational_ratio_params,
     convert_layout_to_siqad_coordinates,
-    convert_potential_to_distance,
     create_and3_tt,
     create_and_tt,
     create_and_xor_tt,
@@ -120,8 +115,6 @@
     detect_bdl_wires_params,
     determine_displacement_robustness_domain_100,
     determine_displacement_robustness_domain_111,
-    determine_groundstate_from_simulation_results,
-    determine_physically_valid_parameters,
     dimer_displacement_policy,
     displacement_analysis_mode,
     displacement_robustness_domain_100,
@@ -162,6 +155,7 @@
     graph_oriented_layout_design,
     graph_oriented_layout_design_params,
     graph_oriented_layout_design_stats,
+    groundstate_from_simulation_results,
     has_high_degree_fanin_nodes,
     hexagonal_gate_layout,
     hexagonal_layout,
@@ -207,6 +201,8 @@
     operational_domain_grid_search,
     operational_domain_params,
     operational_domain_random_sampling,
+    operational_domain_ratio,
+    operational_domain_ratio_params,
     operational_domain_stats,
     operational_domain_value_range,
     operational_input_patterns,
@@ -216,13 +212,19 @@
     orthogonal_stats,
     out_of_cell_names_exception,
     parameter_point,
+    physical_population_stability_100,
+    physical_population_stability_111,
+    physical_population_stability_params,
+    physically_valid_parameters,
     physically_valid_parameters_domain,
     place,
-    population_stability_information,
+    population_stability_information_100,
+    population_stability_information_111,
     positive_charges,
     post_layout_optimization,
     post_layout_optimization_params,
     post_layout_optimization_stats,
+    potential_to_distance_conversion,
     qca_layout,
     qca_technology,
     quickexact,
@@ -336,8 +338,6 @@
     "apply_topolinano_library",
     # Technology
     "area",
-    "assess_physical_population_stability",
-    "assess_physical_population_stability_params",
     "automatic_base_number_detection",
     "bdl_input_iterator_100",
     "bdl_input_iterator_111",
@@ -348,7 +348,7 @@
     "bdl_wire_selection",
     "calculate_energy_and_state_type_with_kinks_accepted",
     "calculate_energy_and_state_type_with_kinks_rejected",
-    "can_positive_charges_occur",
+    "can_positive_charge_occur",
     "cartesian_gate_layout",
     # Layouts
     "cartesian_layout",
@@ -369,10 +369,7 @@
     "color_mode",
     "color_routing",
     "color_routing_params",
-    "compute_operational_ratio",
-    "compute_operational_ratio_params",
     "convert_layout_to_siqad_coordinates",
-    "convert_potential_to_distance",
     "create_and3_tt",
     "create_and_tt",
     "create_and_xor_tt",
@@ -420,8 +417,6 @@
     "detect_bdl_wires_params",
     "determine_displacement_robustness_domain_100",
     "determine_displacement_robustness_domain_111",
-    "determine_groundstate_from_simulation_results",
-    "determine_physically_valid_parameters",
     "dimer_displacement_policy",
     "displacement_analysis_mode",
     "displacement_robustness_domain_100",
@@ -462,6 +457,7 @@
     "graph_oriented_layout_design",
     "graph_oriented_layout_design_params",
     "graph_oriented_layout_design_stats",
+    "groundstate_from_simulation_results",
     "has_high_degree_fanin_nodes",
     "hexagonal_gate_layout",
     "hexagonal_layout",
@@ -507,6 +503,8 @@
     "operational_domain_grid_search",
     "operational_domain_params",
     "operational_domain_random_sampling",
+    "operational_domain_ratio",
+    "operational_domain_ratio_params",
     "operational_domain_stats",
     "operational_domain_value_range",
     "operational_input_patterns",
@@ -516,13 +514,20 @@
     "orthogonal_stats",
     "out_of_cell_names_exception",
     "parameter_point",
+    "physical_population_stability_100",
+    "physical_population_stability_111",
+    "physical_population_stability_params",
+    "physically_valid_parameters",
+    "physically_valid_parameters",
     "physically_valid_parameters_domain",
     "place",
-    "population_stability_information",
+    "population_stability_information_100",
+    "population_stability_information_111",
     "positive_charges",
     "post_layout_optimization",
     "post_layout_optimization_params",
     "post_layout_optimization_stats",
+    "potential_to_distance_conversion",
     "qca_layout",
     "qca_technology",
     "quickexact",

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

@@ -0,0 +1,43 @@
+//
+// Created by marcel on 21.11.23.
+//
+
+#ifndef PYFICTION_CAN_POSITIVE_CHARGE_OCCUR_HPP
+#define PYFICTION_CAN_POSITIVE_CHARGE_OCCUR_HPP
+
+#include "pyfiction/documentation.hpp"
+#include "pyfiction/types.hpp"
+
+#include <fiction/algorithms/simulation/sidb/can_positive_charges_occur.hpp>
+
+#include <pybind11/pybind11.h>
+#include <pybind11/stl.h>
+
+namespace pyfiction
+{
+
+namespace detail
+{
+
+template <typename Lyt>
+void can_positive_charge_occur(pybind11::module& m)
+{
+    namespace py = pybind11;
+
+    m.def("can_positive_charge_occur", &fiction::can_positive_charge_occur<Lyt>, py::arg("lyt"), py::arg("sim_params"),
+          DOC(fiction_can_positive_charge_occur));
+}
+
+}  // namespace detail
+
+inline void can_positive_charge_occur(pybind11::module& m)
+{
+    // NOTE be careful with the order of the following calls! Python will resolve the first matching overload!
+
+    detail::can_positive_charge_occur<py_sidb_100_lattice>(m);
+    detail::can_positive_charge_occur<py_sidb_111_lattice>(m);
+}
+
+}  // namespace pyfiction
+
+#endif  // PYFICTION_CAN_POSITIVE_CHARGE_OCCUR_HPP

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

@@ -8,7 +8,7 @@
 #include "pyfiction/documentation.hpp"
 #include "pyfiction/types.hpp"
 
-#include <fiction/algorithms/simulation/sidb/check_simulation_results_for_equivalence.hpp>
+#include <fiction/algorithms/simulation/sidb/equivalence_check_for_simulation_results.hpp>
 
 #include <pybind11/pybind11.h>
 #include <pybind11/stl.h>

bindings/mnt/pyfiction/include/pyfiction/algorithms/simulation/sidb/maximum_defect_influence_position_and_distance.hpp → bindings/mnt/pyfiction/include/pyfiction/algorithms/simulation/sidb/defect_influence.hpp

@@ -8,7 +8,7 @@
 #include "pyfiction/documentation.hpp"
 #include "pyfiction/types.hpp"
 
-#include <fiction/algorithms/simulation/sidb/maximum_defect_influence_position_and_distance.hpp>
+#include <fiction/algorithms/simulation/sidb/defect_influence.hpp>
 
 #include <pybind11/pybind11.h>
 #include <pybind11/stl.h>

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

@@ -38,7 +38,6 @@ void detect_bdl_pairs(pybind11::module& m)
 inline void detect_bdl_pairs(pybind11::module& m)
 {
     namespace py = pybind11;
-    namespace py = pybind11;
 
     py::class_<fiction::bdl_pair<fiction::offset::ucoord_t>>(m, "bdl_pair", DOC(fiction_bdl_pair))
         .def(py::init<>(), DOC(fiction_bdl_pair_bdl_pair))