List of hitsByInChI() Examples

Examples of hitsByInChI()

uk.ac.cam.ch.wwmm.oscar3.indexersearcher.LuceneChemicalIndex.hitsByInChI()
Returns the molecules that match the given InChI string, simply by performing a string match. @param inchi The InChI string. @return A VectorCollector containing the hits. @throws Exception

Examples of uk.ac.cam.ch.wwmm.oscar3.indexersearcher.LuceneChemicalIndex.hitsByInChI()

        if(overlap < 2) continue;
        double excess = overlap - expected;
        double score = excess / clusterSize;
        
        if(score > threshold) {
          String s = "InChi: " + lci.getName(lci.hitsByInChI(inchi));
          scores.put(s, score);
          df.add(s, overlap);            
        }
      }

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Examples of uk.ac.cam.ch.wwmm.oscar3.indexersearcher.LuceneChemicalIndex.hitsByInChI()

        is.search(q, vc);
        double score = similarity.similarity(cluster, vc.getResultsVector());
        if(score > threshold) {
          int overlap = overlapDocs(vc.getResultsVector(), cluster);
          if(overlap > 1) {
            String s = "InChi: " + lci.getName(lci.hitsByInChI(inchi));
            scores.put(s, score);
            overlaps.put(s, overlap);            
          }
        }
      }

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