<?php header('Content-type: text/n3');

include 'namespaces.php';

include 'functions.php';

$ini = parse_ini_file("vars.properties");

$rooturi = $ini["rooturi"];

$importedBy = $ini["importedBy"];

$db = $ini["dbprefix"] . $ini["version"];

$con = mysqli_connect(ini_get("mysqli.default_host"), ini_get("mysqli.default_user"), ini_get("mysqli.default_pw"), $db);

if (mysqli_connect_errno($con)) die(mysqli_connect_errno($con));

# VOID

$mastervoid = $rooturi . "void.ttl#";

$masterset = $mastervoid . "ChEMBLRDF";

$thisset = $mastervoid . "ChEMBLChEBIMapping";

$thisSetTitle = "ChEMBL - ChEBI OWL mappings";

$thisSetDescription = "Mappings between ChEMBL compounds and the ChEBI ontology.";

$sourceSet = $mastervoid . "ChEMBLCompound";

$sourceSpace = $CHEMBL;

$targetSet = $mastervoid . "ChEBI";

$targetSpace = "http://purl.obolibrary.org/obo/";

$linkPredicate = $SKOS . "exactMatch";

$expresses = $CHEMINF . "CHEMINF_000407";

$current_date = gmDate("Y-m-d\TH:i:s");

echo triple( $thisset , $PAV . "createdBy", $importedBy );

echo typeddata_triple( $thisset, $PAV . "createdOn", $current_date, $XSD . "dateTime" );

echo triple( $thisset , $PAV . "authoredBy", $importedBy );

echo typeddata_triple( $thisset, $PAV . "authoredOn", $current_date, $XSD . "dateTime" );

echo triple( $thisset, $RDF . "type", $VOID . "Linkset" );

echo triple( $masterset, $VOID . "subset" , $thisset );

# echo triple( $molset, $RDF . "type", $VOID . "Dataset" );

echo data_triple( $sourceSet, $VOID . "uriSpace", $sourceSpace );

echo triple( $masterset, $VOID . "subset" , $sourceSet );

# echo triple( $chebiset, $RDF . "type", $VOID . "Dataset" );

echo data_triple( $targetSet, $VOID . "uriSpace", $targetSpace );

echo triple( $masterset, $VOID . "subset" , $thisset );

echo "\n";

echo data_triple( $thisset, $DCT . "title", $thisSetTitle ) ;

echo data_triple( $thisset, $DCT . "description", $thisSetDescription ) ;

echo triple( $thisset, $VOID . "subjectsTarget", $sourceSet) ;

echo triple( $thisset, $VOID . "objectsTarget", $targetSet);

echo triple( $thisset, $VOID . "linkPredicate", $linkPredicate );

echo triple( $thisset, $DCT . "license", $ini["license"] ) ;

echo triple( $thisset, $DUL . "expresses", $expresses);

echo "\n";

# DATA

$allIDs = mysqli_query($con,

"SELECT DISTINCT molregno, chembl_id FROM molecule_dictionary " . $ini["limit"]

);

while ($row = mysqli_fetch_assoc($allIDs)) {

$molregno = $row['molregno'];

$molecule = $CHEMBL . $row['chembl_id'];

# get the compound type, ChEBI, and ChEMBL identifiers

$chebi = mysqli_query($con, "SELECT DISTINCT chebi_par_id FROM molecule_dictionary WHERE molregno = $molregno");

if ($chebiRow = mysqli_fetch_assoc($chebi)) {

$chebiid = $chebiRow['chebi_par_id'];

if ($chebiid) {

echo triple( $molecule, $SKOS . "exactMatch", $chebiSpace . "CHEBI_" . $chebiid );

}

}

}

?>