scorecomplex learningRate=0 issue solved

steineggerlab · Jan 31, 2024 · 6555024 · 6555024
1 parent 095102f
commit 6555024
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Showing 2 changed files with 5 additions and 1 deletion.
diff --git a/src/strucclustutils/createcomplexreport.h b/src/strucclustutils/createcomplexreport.h
@@ -17,6 +17,7 @@ const float CLUSTERING_STEPS = 100.0;
 const float DEF_DIST = -1.0;
 const float DEF_BIT_SCORE = -1.0;
 const int UNINITIALIZED = 0;
+const unsigned int FINISH_CLUSTERING = 2;
 typedef std::pair<std::string, std::string> compNameChainName_t;
 typedef std::map<unsigned int, unsigned int> chainKeyToComplexId_t;
 typedef std::map<unsigned int, std::vector<unsigned int>> complexIdToChainKeys_t;

diff --git a/src/strucclustutils/scorecomplex.cpp b/src/strucclustutils/scorecomplex.cpp
@@ -335,7 +335,7 @@ class DBSCANCluster {
 
     unsigned int runDBSCAN() {
         initializeAlnLabels();
-        if (eps > maxDist) return finishDBSCAN();
+        if (eps >= maxDist) return finishDBSCAN();
         for (size_t centerAlnIdx=0; centerAlnIdx < searchResult.alnVec.size(); centerAlnIdx++) {
             ChainToChainAln &centerAln = searchResult.alnVec[centerAlnIdx];
             if (centerAln.label != 0)
@@ -472,6 +472,9 @@ class DBSCANCluster {
             neighbors.emplace_back(alnIdx);
         }
         if (checkChainRedundancy()) {
+            neighbors.clear();
+            if (searchResult.alnVec.size() < FINISH_CLUSTERING)
+                finishDBSCAN();
             fillDistMap();
             return runDBSCAN();
         }