@@ -3,7 +3,6 @@ package mb3server
3
3
import (
4
4
"bytes"
5
5
"encoding/json"
6
- "fmt"
7
6
"net/http"
8
7
"os"
9
8
"sort"
@@ -634,7 +633,7 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
634
633
accessionsSubstructureSearch := []string {}
635
634
checkSubstructure := substructure != ""
636
635
if checkSubstructure {
637
- fmt .Println (" -> filter by substructure" )
636
+ // fmt.Println(" -> filter by substructure")
638
637
var atomCountsSubstructureSearch []int32
639
638
accessionsSubstructureSearch , atomCountsSubstructureSearch , err = db .GetAccessionsBySubstructure (substructure )
640
639
if err != nil {
@@ -644,7 +643,7 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
644
643
setSubstructureSearch .Add (accession )
645
644
atomCountResultMap [accession ] = atomCountsSubstructureSearch [i ]
646
645
}
647
- fmt .Println ("recordsSubstructureSearch: " , len (accessionsSubstructureSearch ))
646
+ // fmt.Println("recordsSubstructureSearch: ", len(accessionsSubstructureSearch))
648
647
}
649
648
650
649
// similarity search
@@ -654,7 +653,7 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
654
653
similaritySearchResult := & SimilaritySearchResult {}
655
654
checkSimilarity := len (peakList ) > 0 && peakList [0 ] != ""
656
655
if checkSimilarity {
657
- fmt .Println (" -> filter by Similarity" )
656
+ // fmt.Println(" -> filter by Similarity")
658
657
similaritySearchResult , err = GetSimilarity (peakList , []string {}, 0 , peakListThreshold )
659
658
if err != nil {
660
659
return nil , err
@@ -664,15 +663,15 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
664
663
similarityResultMap [similarityResult .Accession ] = similarityResult .Score
665
664
atomCountResultMap [similarityResult .Accession ] = similarityResult .Atomcount
666
665
}
667
- fmt .Println ("similaritySearchResult: " , len (similaritySearchResult .Data ))
666
+ // fmt.Println("similaritySearchResult: ", len(similaritySearchResult.Data))
668
667
}
669
668
670
669
// filter search
671
670
filters , err := buildFilters (instrumentType , splash , msType , ionMode , compoundName , compoundClass , exactMass , massTolerance , formula , peaks , intensity , neutralLoss , inchi , inchiKey , contributor )
672
671
if err != nil {
673
672
return nil , err
674
673
}
675
- fmt .Println ("filters: " , filters )
674
+ // fmt.Println("filters: ", filters)
676
675
677
676
// neutral loss search, only if filters.NeutralLoss is given
678
677
checkNeutralLoss := filters .NeutralLoss != nil && len (* filters .NeutralLoss ) > 0 && filters .MassEpsilon != nil
@@ -681,7 +680,7 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
681
680
neutralLossResultMap := make (map [string ][]string )
682
681
accessionsNeutralLossSearch := []string {}
683
682
if checkNeutralLoss {
684
- fmt .Println (" -> filter by NeutralLoss" )
683
+ // fmt.Println(" -> filter by NeutralLoss")
685
684
var atomCountsNeutralLossSearch []int32
686
685
var peakPairs map [string ][]string
687
686
accessionsNeutralLossSearch , atomCountsNeutralLossSearch , peakPairs , err = db .NeutralLossSearch (filters .NeutralLoss , filters .MassEpsilon , filters .Intensity )
@@ -707,7 +706,7 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
707
706
708
707
accessionsFilters := []string {}
709
708
if checkFilters {
710
- fmt .Println (" -> filter by Filters" )
709
+ // fmt.Println(" -> filter by Filters")
711
710
var atomCountsFilters []int32
712
711
accessionsFilters , atomCountsFilters , err = db .GetAccessionsByFilterOptions (* filters )
713
712
if err != nil {
@@ -717,15 +716,15 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
717
716
setFilterSearch .Add (accession )
718
717
atomCountResultMap [accession ] = atomCountsFilters [i ]
719
718
}
720
- fmt .Println ("recordsFilters: " , len (accessionsFilters ))
719
+ // fmt.Println("recordsFilters: ", len(accessionsFilters))
721
720
}
722
721
723
722
// merge search results
724
723
results := & SearchResult {}
725
724
results .Data = []SearchResultDataInner {}
726
725
727
726
if checkSubstructure && checkSimilarity && checkNeutralLoss && checkFilters {
728
- fmt .Println (" -> combined results (substructure + similarity + neutral loss + filters)" )
727
+ // fmt.Println(" -> combined results (substructure + similarity + neutral loss + filters)")
729
728
intersection := setSubstructureSearch .Intersect (setSimilaritySearch ).Intersect (setNeutralLossSearch ).Intersect (setFilterSearch )
730
729
for _ , accession := range intersection .ToSlice () {
731
730
var peakPairs []string
@@ -746,7 +745,7 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
746
745
return results .Data [i ].Score > results .Data [j ].Score
747
746
})
748
747
} else if checkSubstructure && checkSimilarity && checkNeutralLoss && ! checkFilters {
749
- fmt .Println (" -> combined results (substructure + similarity + neutral loss)" )
748
+ // fmt.Println(" -> combined results (substructure + similarity + neutral loss)")
750
749
intersection := setSubstructureSearch .Intersect (setSimilaritySearch ).Intersect (setNeutralLossSearch )
751
750
for _ , accession := range intersection .ToSlice () {
752
751
var peakPairs []string
@@ -767,7 +766,7 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
767
766
return results .Data [i ].Score > results .Data [j ].Score
768
767
})
769
768
} else if checkSubstructure && checkSimilarity && ! checkNeutralLoss && checkFilters {
770
- fmt .Println (" -> combined results (substructure + similarity + filters)" )
769
+ // fmt.Println(" -> combined results (substructure + similarity + filters)")
771
770
intersection := setSubstructureSearch .Intersect (setSimilaritySearch ).Intersect (setFilterSearch )
772
771
for _ , accession := range intersection .ToSlice () {
773
772
searchResultData := SearchResultDataInner {
@@ -781,7 +780,7 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
781
780
return results .Data [i ].Score > results .Data [j ].Score
782
781
})
783
782
} else if checkSubstructure && ! checkSimilarity && checkNeutralLoss && checkFilters {
784
- fmt .Println (" -> combined results (substructure + neutral loss + filters)" )
783
+ // fmt.Println(" -> combined results (substructure + neutral loss + filters)")
785
784
intersection := setSubstructureSearch .Intersect (setNeutralLossSearch ).Intersect (setFilterSearch )
786
785
for _ , accession := range intersection .ToSlice () {
787
786
var peakPairs []string
@@ -798,7 +797,7 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
798
797
results .Data = append (results .Data , searchResultData )
799
798
}
800
799
} else if ! checkSubstructure && checkSimilarity && checkNeutralLoss && checkFilters {
801
- fmt .Println (" -> combined results (similarity + neutral loss + filters)" )
800
+ // fmt.Println(" -> combined results (similarity + neutral loss + filters)")
802
801
intersection := setSimilaritySearch .Intersect (setNeutralLossSearch ).Intersect (setFilterSearch )
803
802
for _ , accession := range intersection .ToSlice () {
804
803
var peakPairs []string
@@ -819,7 +818,7 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
819
818
return results .Data [i ].Score > results .Data [j ].Score
820
819
})
821
820
} else if checkSubstructure && checkSimilarity && ! checkNeutralLoss && ! checkFilters {
822
- fmt .Println (" -> combined results (substructure + similarity)" )
821
+ // fmt.Println(" -> combined results (substructure + similarity)")
823
822
intersection := setSubstructureSearch .Intersect (setSimilaritySearch )
824
823
for _ , accession := range intersection .ToSlice () {
825
824
searchResultData := SearchResultDataInner {
@@ -833,7 +832,7 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
833
832
return results .Data [i ].Score > results .Data [j ].Score
834
833
})
835
834
} else if checkSubstructure && ! checkSimilarity && checkNeutralLoss && ! checkFilters {
836
- fmt .Println (" -> combined results (substructure + neutral loss)" )
835
+ // fmt.Println(" -> combined results (substructure + neutral loss)")
837
836
intersection := setSubstructureSearch .Intersect (setNeutralLossSearch )
838
837
for _ , accession := range intersection .ToSlice () {
839
838
var peakPairs []string
@@ -850,7 +849,7 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
850
849
results .Data = append (results .Data , searchResultData )
851
850
}
852
851
} else if ! checkSubstructure && checkSimilarity && checkNeutralLoss && ! checkFilters {
853
- fmt .Println (" -> combined results (similarity + neutral loss)" )
852
+ // fmt.Println(" -> combined results (similarity + neutral loss)")
854
853
intersection := setSimilaritySearch .Intersect (setNeutralLossSearch )
855
854
for _ , accession := range intersection .ToSlice () {
856
855
var peakPairs []string
@@ -871,7 +870,7 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
871
870
return results .Data [i ].Score > results .Data [j ].Score
872
871
})
873
872
} else if checkSubstructure && ! checkSimilarity && ! checkNeutralLoss && checkFilters {
874
- fmt .Println (" -> combined results (substructure + filters)" )
873
+ // fmt.Println(" -> combined results (substructure + filters)")
875
874
intersection := setSubstructureSearch .Intersect (setFilterSearch )
876
875
for _ , accession := range intersection .ToSlice () {
877
876
searchResultData := SearchResultDataInner {
@@ -881,7 +880,7 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
881
880
results .Data = append (results .Data , searchResultData )
882
881
}
883
882
} else if ! checkSubstructure && checkSimilarity && ! checkNeutralLoss && checkFilters {
884
- fmt .Println (" -> combined results (similarity + filters)" )
883
+ // fmt.Println(" -> combined results (similarity + filters)")
885
884
intersection := setSimilaritySearch .Intersect (setFilterSearch )
886
885
for _ , accession := range intersection .ToSlice () {
887
886
searchResultData := SearchResultDataInner {
@@ -895,7 +894,7 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
895
894
return results .Data [i ].Score > results .Data [j ].Score
896
895
})
897
896
} else if ! checkSubstructure && ! checkSimilarity && checkNeutralLoss && checkFilters {
898
- fmt .Println (" -> combined results (neutral loss + filters)" )
897
+ // fmt.Println(" -> combined results (neutral loss + filters)")
899
898
intersection := setNeutralLossSearch .Intersect (setFilterSearch )
900
899
for _ , accession := range intersection .ToSlice () {
901
900
var peakPairs []string
@@ -912,9 +911,9 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
912
911
results .Data = append (results .Data , searchResultData )
913
912
}
914
913
} else {
915
- fmt .Println ("no combined results found -> single results" )
914
+ // fmt.Println("no combined results found -> single results")
916
915
if checkSimilarity && ! checkFilters && ! checkSubstructure && ! checkNeutralLoss {
917
- fmt .Println (" -> single results (similarity)" )
916
+ // fmt.Println(" -> single results (similarity)")
918
917
for _ , similarityResult := range similaritySearchResult .Data {
919
918
results .Data = append (results .Data , SearchResultDataInner {
920
919
Accession : similarityResult .Accession ,
@@ -923,7 +922,7 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
923
922
})
924
923
}
925
924
} else if checkFilters && ! checkSimilarity && ! checkSubstructure && ! checkNeutralLoss {
926
- fmt .Println (" -> single results (filters)" )
925
+ // fmt.Println(" -> single results (filters)")
927
926
for _ , accession := range accessionsFilters {
928
927
var peakPairs []string
929
928
if _ , ok := neutralLossResultMap [accession ]; ok {
@@ -939,7 +938,7 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
939
938
results .Data = append (results .Data , searchResultData )
940
939
}
941
940
} else if checkSubstructure && ! checkSimilarity && ! checkFilters && ! checkNeutralLoss {
942
- fmt .Println (" -> single results (substructure)" )
941
+ // fmt.Println(" -> single results (substructure)")
943
942
for _ , accession := range accessionsSubstructureSearch {
944
943
searchResultData := SearchResultDataInner {
945
944
Accession : accession ,
@@ -948,7 +947,7 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
948
947
results .Data = append (results .Data , searchResultData )
949
948
}
950
949
} else if checkNeutralLoss && ! checkSimilarity && ! checkFilters && ! checkSubstructure {
951
- fmt .Println (" -> single results (neutral loss)" )
950
+ // fmt.Println(" -> single results (neutral loss)")
952
951
for _ , accession := range accessionsNeutralLossSearch {
953
952
var peakPairs []string
954
953
if _ , ok := neutralLossResultMap [accession ]; ok {
@@ -966,7 +965,7 @@ func GetSearchResults(instrumentType []string, splash string, msType []string, i
966
965
}
967
966
}
968
967
969
- fmt .Println ("results: " , len (results .Data ))
968
+ // fmt.Println("results: ", len(results.Data))
970
969
971
970
return results , nil
972
971
}
@@ -992,10 +991,10 @@ func GetSimilarity(peakList []string, referenceSpectraList []string, limit int32
992
991
}
993
992
return mz1 < mz2
994
993
})
995
- fmt .Println ("peakList: " , peakList )
996
- fmt .Println ("referenceSpectraList: " , referenceSpectraList )
997
- fmt .Println ("limit: " , limit )
998
- fmt .Println ("threshold: " , threshold )
994
+ // fmt.Println("peakList: ", peakList)
995
+ // fmt.Println("referenceSpectraList: ", referenceSpectraList)
996
+ // fmt.Println("limit: ", limit)
997
+ // fmt.Println("threshold: ", threshold)
999
998
1000
999
if err := initDB (); err != nil {
1001
1000
return nil , err
0 commit comments