scorecomplex many against many bug fix final

steineggerlab · Jan 4, 2024 · 1c4fdfa · 1c4fdfa
1 parent 9f8a2ef
commit 1c4fdfa
Showing 1 changed file with 13 additions and 7 deletions.
diff --git a/src/strucclustutils/scorecomplex.cpp b/src/strucclustutils/scorecomplex.cpp
@@ -301,14 +301,10 @@ class DBSCANCluster {
 
     unsigned int clusterAlns() {
         initializeAlnLabels();
-        if (++recursiveNum > MAX_RECURSIVE_NUM) return UNCLUSTERED;
-        if (searchResult.alnVec.size() == idealClusterSize) {
-            for (size_t alnIdx=0; alnIdx<searchResult.alnVec.size(); alnIdx++) {
-                neighbors.emplace_back(alnIdx);
-            }
-            bestClusters.emplace_back(neighbors);
-            return finishDBSCAN();
+        if (recursiveNum==0 && searchResult.alnVec.size() == idealClusterSize) {
+            checkClusteringNecessity();
         }
+        if (++recursiveNum > MAX_RECURSIVE_NUM) return UNCLUSTERED;
         for (size_t centerAlnIdx=0; centerAlnIdx < searchResult.alnVec.size(); centerAlnIdx++) {
             ChainToChainAln &centerAln = searchResult.alnVec[centerAlnIdx];
             if (centerAln.label != 0) continue;
@@ -440,6 +436,16 @@ class DBSCANCluster {
         return CLUSTERED;
     }
 
+    unsigned int checkClusteringNecessity() {
+        for (size_t alnIdx=0; alnIdx<searchResult.alnVec.size(); alnIdx++) {
+            neighbors.emplace_back(alnIdx);
+        }
+        if (checkChainRedundancy())
+            return UNCLUSTERED;
+        bestClusters.emplace_back(neighbors);
+        return finishDBSCAN();
+    }
+
 //    void free() {
 //        neighbors.clear();
 //        neighborsOfCurrNeighbor.clear();