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sabinemsabinem
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Merge pull request #51 from sdsc-ordes/feat/qlever-results
Feat/qlever results
2 parents 58656e5 + 17c5348 commit e5f9993

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‎docs/queries/result.rq‎

Lines changed: 94 additions & 27 deletions
Original file line numberDiff line numberDiff line change
@@ -1,33 +1,100 @@
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PREFIX allores: <http://purl.allotrope.org/ontologies/result#>
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PREFIX cat: <http://example.org/catplus/ontology/>
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PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#>
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PREFIX res: <http://dbpedia.org/resource/>
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PREFIX allo-res: <http://purl.allotrope.org/ontologies/result#>
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PREFIX schema: <https://schema.org/>
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PREFIX cat: <http://example.org/catplus/ontology/>
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PREFIX purl: <http://purl.allotrope.org/ontologies/>
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SELECT
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?contentUrl
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?reactionType
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?chemicalName
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?contenturl ?deviceTypes ?chemicals ?peakIdentifiers
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WHERE {
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FILTER(
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CONTAINS(?chemicalNames, "Styrene") && CONTAINS(?chemicalNames, "methanol")
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&&
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CONTAINS(?casNumbers, "1") && CONTAINS(?casNumbers, "73")
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&&
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CONTAINS(?smiless, "O") && CONTAINS(?smiless, "OC")
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&&
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CONTAINS(?deviceTypes, "Oven")
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)
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{
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SELECT DISTINCT
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?contenturl
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?deviceTypes
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(GROUP_CONCAT(DISTINCT CONCAT(?chemicalName); separator=" | ") AS ?chemicalNames)
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(GROUP_CONCAT(DISTINCT CONCAT(?casNumber); separator=" | ") AS ?casNumbers)
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(GROUP_CONCAT(DISTINCT CONCAT(?smiles); separator=" | ") AS ?smiless)
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(GROUP_CONCAT(DISTINCT CONCAT(?chemicalName, " [", ?casNumber, "] <", ?smiles, ">"); separator=" | ") AS ?chemicals)
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?peakIdentifiers
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WHERE {
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?s schema:contentUrl ?contentUrl .
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?s cat:hasBatch ?batch .
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{?s cat:hasChemical ?chemical . ?s a cat:Campaign}
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UNION {?action cat:hasBatch ?batch . ?action cat:hasSample* ?sample . ?sample cat:hasChemical ?chemical .}
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?batch cat:reactionType ?reactionType .
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?chemical allores:AFR_0002292 ?chemicalName .
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# Step 1: Pagination of contenturl
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{
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SELECT DISTINCT ?contenturl
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WHERE {
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?LiquidChromatographyAggregateDocument schema:contentUrl ?contenturl .
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?LiquidChromatographyAggregateDocument a allo-res:AFR_0002524 .
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}
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ORDER BY ?contenturl
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LIMIT 10
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OFFSET 0
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}
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# Step 2: Get deviceType per contenturl
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{
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SELECT DISTINCT ?s WHERE {
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?batch cat:reactionType ?reactionType .
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?s rdf:type cat:Campaign .
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?s cat:hasBatch ?batch .
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{?s cat:hasChemical ?chemical . ?s a cat:Campaign}
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UNION {?action cat:hasBatch ?batch . ?action cat:hasSample* ?sample . ?sample cat:hasChemical ?chemical .}
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?s schema:contentUrl ?contentUrl .
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FILTER (?reactionType IN ('N-methylation'))
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}
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ORDER BY ASC(?contentUrl)
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LIMIT 3
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OFFSET 0
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SELECT ?contenturl (GROUP_CONCAT(DISTINCT ?deviceType; separator=", ") AS ?deviceTypes )
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WHERE {
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?LiquidChromatographyAggregateDocument schema:contentUrl ?contenturl ;
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allo-res:AFR_0002526 ?DeviceSystemDocument ;
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cat:hasLiquidChromatography/allo-res:AFR_0002374 ?MeasurementAggregateDocument .
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?DeviceSystemDocument a cat:DeviceSystemDocument ;
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allo-res:AFR_0002722/allo-res:AFR_0002568 ?deviceType .
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?MeasurementAggregateDocument allo-res:AFR_0002083 ?SampleDocument .
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?SampleDocument cat:hasProduct ?product .
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?synthAddAction cat:producesProduct ?product ;
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cat:hasBatch ?batch .
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?batch cat:reactionType ?reactionType ;
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cat:reactionName ?reactionName .
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FILTER(CONTAINS(?reactionType, "N-methylation"))
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FILTER(CONTAINS(?reactionName, "Caffeine synthesis"))
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}
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GROUP BY ?contenturl
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}
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# Step 3: Chemical info coming from campaigns and samples
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{
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SELECT ?contenturl ?chemical ?casNumber ?smiles ?chemicalName
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WHERE {
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?LiquidChromatographyAggregateDocument schema:contentUrl ?contenturl ;
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cat:hasLiquidChromatography/allo-res:AFR_0002374 ?MeasurementAggregateDocument .
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?MeasurementAggregateDocument allo-res:AFR_0002083 ?SampleDocument .
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?SampleDocument cat:hasProduct ?product .
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?synthaddaction cat:producesProduct ?product .
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?synthaddaction cat:hasBatch ?batch .
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?campaign cat:hasBatch ?batch .
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{?synthaddaction cat:hasSample+ ?sample .
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?sample cat:hasChemical ?chemical .
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}
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UNION {
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?campaign cat:hasChemical ?chemical .
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}
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?campaign schema:name ?campaignName .
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FILTER(CONTAINS(?campaignName, "Caffeine Synthesis"))
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?chemical
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allo-res:AFR_0002292 ?chemicalName ;
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cat:casNumber ?casNumber ;
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allo-res:AFR_0002295 ?smiles .
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}
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GROUP BY ?contenturl ?chemical ?casNumber ?smiles ?chemicalName
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}
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# Step 4: Peak Identifiers
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{
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SELECT ?contenturl (GROUP_CONCAT(DISTINCT ?peakIdentifier; separator=", ") AS ?peakIdentifiers)
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WHERE {
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?LiquidChromatographyAggregateDocument schema:contentUrl ?contenturl ;
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cat:hasLiquidChromatography/allo-res:AFR_0002374 ?MeasurementAggregateDocument .
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?MeasurementAggregateDocument allo-res:AFR_0002659/allo-res:AFR_0000432/cat:peak/allo-res:AFR_0001164 ?peakIdentifier .
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}
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GROUP BY ?contenturl
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}
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}
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GROUP BY ?contentUrl ?reactionType ?chemicalName
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ORDER BY ASC(?contentUrl)
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GROUP BY ?contenturl ?deviceTypes ?peakIdentifiers
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}}
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ORDER BY ASC(?contenturl)

‎src/lib/components/Campaign.svelte‎

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rel="noopener noreferrer"
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>
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<FolderDown />
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<span>Download ZIP {getZipFileName(title)}</span>
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<span>Download ZIP {getZipFileName(activeCampaign)}</span>
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</a>
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</h1>
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</div>

‎src/lib/components/ContentLayout.svelte‎

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@@ -12,10 +12,14 @@
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<div class="grid grid-cols-1 md:grid-cols-[theme(spacing.96)_1fr]">
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<!-- Left Sidebar. -->
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<aside class="p-4 overflow-y-auto">
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{@render sidebar()}
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{#if sidebar}
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{@render sidebar()}
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{/if}
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</aside>
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<!-- Main Content -->
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<main class="space-y-4 p-4 overflow-y-auto">
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{@render main()}
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{#if main}
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{@render main()}
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{/if}
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</main>
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</div>

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