🎨 small fix.

include/fiction/algorithms/simulation/sidb/defect_influence_operational_domain.hpp

@@ -270,9 +270,16 @@ class defect_operational_domain_impl
             assert(layout.num_defects() == 0 && "An atomic defect is added");
 
             // find an operational point on the contour starting from the randomly determined starting point
-            const auto contour_starting_point =
+            const auto contour_starting_p =
                 find_last_operational_defect_position_moving_right(*operational_starting_point);
 
+            if (!contour_starting_p.has_value())
+            {
+                continue;
+            }
+
+            const auto contour_starting_point = *contour_starting_p;
+
             // the layout hs to be defect-free.
             assert(layout.num_defects() == 0 && "An atomic defect is added");
 
@@ -286,13 +293,8 @@ class defect_operational_domain_impl
                                             current_neighborhood.front() :
                                             next_clockwise_point(current_neighborhood, backtrack_point);
 
-            std::size_t counter = 0;
-            while (next_point != contour_starting_point && counter < 100)
+            while (next_point != contour_starting_point)
             {
-                counter++;  // avoid infinite loops
-
-                std::cout << counter << std::endl;
-
                 const auto operational_status = is_defect_position_operational(next_point);
 
                 assert(layout.num_defects() == 0 && "more than one defect");
@@ -442,9 +444,9 @@ class defect_operational_domain_impl
      *
      * @param starting_defect_position The starting position of the defect, from which the traversal towards the right
      * is conducted while maintaining gate operability.
-     * @return The last operational defect position.
+     * @return The last operational defect position. If no non-operational defect is found, std::nullopt is returned.
      */
-    [[nodiscard]] typename Lyt::cell
+    [[nodiscard]] std::optional<typename Lyt::cell>
     find_last_operational_defect_position_moving_right(const typename Lyt::cell& starting_defect_position) noexcept
     {
         auto latest_operational_defect_position = starting_defect_position;
@@ -473,6 +475,11 @@ class defect_operational_domain_impl
             }
         }
 
+        if (current_defect_position == latest_operational_defect_position)
+        {
+            return std::nullopt;
+        }
+
         return latest_operational_defect_position;
     }
     /**

test/algorithms/simulation/sidb/defect_influence_operational_domain.cpp

@@ -40,8 +40,8 @@ TEST_CASE("novel designed AND Gate influence distance function which fails again
         defect_operational_domain_stats stats{};
         const auto                      defect_influence_domain =
             defect_operational_domain_grid_search(cube_lyt, std::vector<tt>{create_and_tt()}, 3, params, &stats);
-        CHECK_THAT(defect_avoidance_distance(cube_lyt, defect_influence_domain).minimum_defect_clearance,
-                   Catch::Matchers::WithinAbs(8.42177748459314479, physical_constants::POP_STABILITY_ERR));
+        CHECK(defect_avoidance_distance(cube_lyt, defect_influence_domain).minimum_defect_clearance <=
+              6.2126117696183147);
     }
 
     SECTION("Random Sampling")
@@ -56,11 +56,12 @@ TEST_CASE("novel designed AND Gate influence distance function which fails again
 
     SECTION("QuickTrace")
     {
+        // 6.21261176961831474 nm is the exact value.
         params.defect_influence_params.additional_scanning_area = {20, 20};
         defect_operational_domain_stats stats{};
         const auto                      defect_influence_domain =
             defect_operational_domain_quicktrace(cube_lyt, std::vector<tt>{create_and_tt()}, 5, params, &stats);
         CHECK_THAT(defect_avoidance_distance(cube_lyt, defect_influence_domain).minimum_defect_clearance,
-                   Catch::Matchers::WithinAbs(9.62301241815680086, physical_constants::POP_STABILITY_ERR));
+                   Catch::Matchers::WithinAbs(6.21261176961831474, physical_constants::POP_STABILITY_ERR));
     }
 }