02_02_ocrs_InChIKeytoCSID.ttl

@base <http://www.openphacts.org/api> .
@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix api: <http://purl.org/linked-data/api/vocab#> .
@prefix cheminf: <http://semanticscience.org/resource/> .
@prefix foaf: <http://xmlns.com/foaf/0.1/> .

<#chemspider> a api:API ;
	rdfs:label "ChemSpider structure search"@en;
	api:sparqlEndpoint <http://alpha.openphacts.org:8890/sparql/> ;
	api:contentNegotiation api:parameterBased ;
	api:variable cheminf:CHEMINF_000399 ;
	api:dataset <http://chemistry.openphacts.org> ;
	api:description "An API configuration to return a chemspider URL corresponding to a chemical structure." ;
	api:endpoint [
		a api:ExternalHTTPService ;
		api:description "A ChemSpider URL corresponding to an input InChIKey string. Driven by ChemSpider." ;
		api:name "Chemical Structure Conversion: InchiKey to URL" ;
		api:enableCache true ;
		api:uriTemplate "/structure?inchi_key={inchi_key}" ;
		api:externalRequestTemplate "https://chemistry.openphacts.org/api/JSON.ashx?op=ConvertTo&convertOptions.Direction=InChiKey2CSID&convertOptions.Text={inchi_key}" ;
		api:externalResponseHandler "converters/chemspider_id_xml_to_rdf.php" ;
		api:exampleRequestPath "/structure?inchi_key=BSYNRYMUTXBXSQ-UHFFFAOYSA-N" ;
		api:viewer <#externalResponseViewer> ;
		api:defaultViewer <#externalResponseViewer> . ] .

<http://chemistry.openphacts.org> api:label "OpenPHACTS Chemistry Registration Service" .

cheminf:CHEMINF_000399 api:name "inchi_key" ;
	api:label "inchi_key";
	api:value "An InChIKey string. E.g. BSYNRYMUTXBXSQ-UHFFFAOYSA-N" .

<#externalResponseViewer> a api:Viewer ;
	api:name "externalResponseViewer" ;
	api:template "
{pageUri} foaf:primaryTopic ?primaryTopic .
?primaryTopic foaf:isPrimaryTopicOf {pageUri} .
?primaryTopic cheminf:CHEMINF_000399 ?inchi_key ." ;

	api:where "
GRAPH <{result_hash}> {
	?primaryTopic cheminf:CHEMINF_000399 ?inchi_key .
}".