complexsearch with DBSCAN commit for benchmark

steineggerlab · Feb 13, 2024 · dc272d5 · dc272d5
1 parent a7fefa2
commit dc272d5
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Showing 2 changed files with 4 additions and 4 deletions.
diff --git a/src/strucclustutils/createcomplexreport.h b/src/strucclustutils/createcomplexreport.h
@@ -16,7 +16,7 @@ const float DEF_BIT_SCORE = -1.0;
 const int UNINITIALIZED = 0;
 const float LEARNING_RATE = 0.1;
 const float DEFAULT_EPS = 0.1;
-const unsigned int MULTIPLE_CHAIN = 2;
+const unsigned int MULTIPLE_CHAINED_COMPOLEX = 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
@@ -482,7 +482,7 @@ class DBSCANCluster {
         }
         if (checkChainRedundancy()) {
             neighbors.clear();
-            if (searchResult.alnVec.size() < MULTIPLE_CHAIN)
+            if (searchResult.alnVec.size() < MULTIPLE_CHAINED_COMPOLEX)
                 finishDBSCAN();
 
             return runDBSCAN();
@@ -649,7 +649,7 @@ class ComplexScorer {
         currAlns.clear();
         paredSearchResult.filterAlnVec(minAssignedChainsRatio);
         paredSearchResult.standardize();
-        if (!paredSearchResult.alnVec.empty()) // && currDbChainKeys.size() > 1
+        if (!paredSearchResult.alnVec.empty() && currDbChainKeys.size() >= MULTIPLE_CHAINED_COMPOLEX)
             searchResults.emplace_back(paredSearchResult);
 
         paredSearchResult.alnVec.clear();
@@ -833,7 +833,7 @@ int scorecomplex(int argc, const char **argv, const Command &command) {
         for (size_t qCompIdx = 0; qCompIdx < qComplexIndices.size(); qCompIdx++) {
             unsigned int qComplexId = qComplexIndices[qCompIdx];
             std::vector<unsigned int> &qChainKeys = qComplexIdToChainKeysMap.at(qComplexId);
-            if (qChainKeys.size() < MULTIPLE_CHAIN)
+            if (qChainKeys.size() < MULTIPLE_CHAINED_COMPOLEX)
                 continue;
             complexScorer.getSearchResults(qComplexId, qChainKeys, dbChainKeyToComplexIdMap, dbComplexIdToChainKeysMap, searchResults);
             // for each db complex