changed main back and added runaco3d.cpp

CMakeLists.txt

@@ -32,7 +32,8 @@ set(SOURCE_FILES main.cpp
         src/strategies/cache/FileCacheManager.cpp
         src/strategies/cache/FileCacheManager.h
         src/strategies/cache/LongTermCacheData.cpp
-        src/strategies/cache/LongTermCacheData.h)
+        src/strategies/cache/LongTermCacheData.h
+        RunAco3D.cpp)
 
 add_executable(main_run ${SOURCE_FILES})
 

RunAco3D.cpp

+#include <iostream>
+#include <string>
+
+#include "ACO3D.h"
+#include "Application.h"
+
+int main(){
+    // Example HP sequence
+    std::string hpSeq = "hphhpphhhhphhhpphhpphphhphphhpphhppphpppppppphh";
+
+    // Set up ACO parameters
+    ACOParams params;
+    params.numAnts = 100;
+    params.maxIterations = 100;
+    params.alpha = 1.0;
+    params.beta  = 2.0;
+    params.rho   = 0.3;
+    params.pheromoneInit = 1.0;
+    params.stagnationThreshold = 10.0;
+    params.theta = 0.1;
+
+    // For local search
+    params.macroMutationAttempts = 1;
+    params.pointMutationAttempts = 1;
+    params.localSearchMaxNoImprove = 5;
+    params.mutationRetentionProb = 0.7;
+    params.gamma = 1.0;
+
+    // Build the solver
+    ACO3D solver(hpSeq, params);
+
+    // Solve
+    BestSolution best = solver.solve();
+    if(best.valid){
+        std::cout << "Best Score Found: " << best.score << std::endl;
+        // Or JSON:
+        std::cout << best.model.pointsToJson() << std::endl;
+    } else {
+        std::cout << "No valid conformation found!\n";
+    }
+    // Test
+    return 0;
+}