<?
require_once("./lib/nusoap.php");

// config file
include("../inclfiles/config.php");	// Configuration
include("../inclfiles/functions.php");	// Functions

//Create a new soap server
$server = new soap_server();

//Define our namespace
$namespace = "https://www.specs.net/pgw";

//Set out namespace
@$server->wsdl->schemaTargetNamespace = $namespace;
 
//Configure our WSDL
@$server->configureWSDL("CompoundPowerGateWay");
 
//Create a complex type
$server->wsdl->addComplexType('InFindSpecsId','complexType','struct','all','',
	array(
		'findspecsid' => array('name' => 'findspecsid','type' => 'xsd:string')
	));

$server->wsdl->addComplexType('InIdnumber','complexType','struct','all','',
	array(
		'idnumber' => array('name' => 'idnumber','type' => 'xsd:string')
	));
	
$server->wsdl->addComplexType('OutType1','complexType','struct','all','',
	array(
		'available' => array('name' => 'available','type' => 'xsd:double'),
		'molformula' => array('name' => 'molformula','type' => 'xsd:string'),
		'molweight' => array('name' => 'molweight','type' => 'xsd:double'),
		'saltdata' => array('name' => 'saltdata','type' => 'xsd:string'),
		'logp' => array('name' => 'logp','type' => 'xsd:double'),
		'logs' => array('name' => 'logs','type' => 'xsd:double'),
		'tpsa' => array('name' => 'tpsa','type' => 'xsd:double'),
		'chiral' => array('name' => 'chiral','type' => 'xsd:string'),
		'hacceptors' => array('name' => 'hacceptors','type' => 'xsd:int'),
		'hdonors' => array('name' => 'hdonors','type' => 'xsd:int'),
		'rotatablebonds' => array('name' => 'rotatablebonds','type' => 'xsd:int'),
		'ratoralld50' => array('name' => 'ratoralld50','type' => 'xsd:double'),
		'loael' => array('name' => 'loael','type' => 'xsd:double'),
		'ames' => array('name' => 'ames','type' => 'xsd:double'),
		'dtp' => array('name' => 'dtp','type' => 'xsd:double'),
		'mdlnumber' => array('name' => 'mdlnumber','type' => 'xsd:string'),
		'name' => array('name' => 'name','type' => 'xsd:string'),
		'inchi' => array('name' => 'inchi','type' => 'xsd:string'),
		'inchikey' => array('name' => 'inchikey','type' => 'xsd:string'),
		'smiles' => array('name' => 'smiles','type' => 'xsd:string'),
		'molfile' => array('name' => 'molfile','type' => 'xsd:string')
	));

$server->wsdl->addComplexType('OutSpecsIdNumber','complexType','struct','all','',
	array(
		'idnumber' => array('name' => 'idnumber','type' => 'xsd:string')
	));


//Register our methods using the complex type
$server->register(
	// method name:
	'FindSpecsId',
	// parameter list:
	array('name'=>'tns:InFindSpecsId'),
	// return value(s):
	array('return'=>'tns:OutSpecsIdNumber'),
	// namespace:
	$namespace,
	// soapaction: (use default)
	false,
	// style: rpc or document
	'rpc',
	// use: encoded or literal
	'encoded',
	// description: documentation for the method
	'Find a Specs ID number by input of a MDL number, InChI or InChIKey string'
);

$server->register(
	// method name:
	'GetInfoOnSpecsId',
	// parameter list:
	array('name'=>'tns:InIdnumber'),
	// return value(s):
	array('return'=>'tns:OutType1'),
	// namespace:
	$namespace,
	// soapaction: (use default)
	false,
	// style: rpc or document
	'rpc',
	// use: encoded or literal
	'encoded',
	// description: documentation for the method
	'Retrieve compound information and molfile of a Specs ID number'
);

//Our complex methods
function FindSpecsId($mycomplextype) {
	global $client_chem, $siteid_soap;
	$findspecsid =""; $idnumber="";
	if (!empty($mycomplextype['findspecsid'])) { 
		$findspecsid = $mycomplextype['findspecsid'];
		$findspecsid = str_replace('-&#x200B;', '-', trim($findspecsid));
		$findspecsid = str_replace('-&#8203;', '-', $findspecsid);
		$findspecsid = str_replace('?', '', $findspecsid);
		$findspecsid = str_replace(' ', '', $findspecsid);
		$findspecsid = substr(strip_tags(trim($mycomplextype['findspecsid'])), 0, 2050);
		// Find Specs ID from reference
		$chem_findspecsid_xml = $client_chem->FindSpecsID(array('fromsiteid'=>$siteid_soap,'findspecsid'=>$findspecsid));
		if (!empty($chem_findspecsid_xml->result)) {
			$idnumber=$chem_findspecsid_xml->result;
		}
	}
	return array (
			'idnumber' => $idnumber
	);
}

function GetInfoOnSpecsId($mycomplextype) {
	global $client_chem;
	// get batchno
	$idnumber='';
	if (!empty($mycomplextype['idnumber'])) { $idnumber = $mycomplextype['idnumber']; }

	if (strlen($idnumber) == 15 && preg_match('/[A-Z]{2}\-\d{3}\/\d{8}/', substr(trim($idnumber), 0, 15))) {
		// Get data from hit compound
		$chem_compinfo_xml = $client_chem->GetInfoOnSpecsId(array('idnumber'=>$idnumber));
		$available =0.0;$molformula="";$molweight=0.0;$saltdata="";$logp=99999.9;$logs=99999.9;$tpsa=0.0;$chiral=""; $hacceptors=0;$hdonors=0;
		$rotatablebonds=0;$ratoralld50=0; $loael=0;$ames=0;$dtp=0;$mdlnumber=""; $name="";$inchi="";$inchikey="";$smiles="";
		$molfile ="";
	
		if (!empty($chem_compinfo_xml->idnumber)) {
			// fill variables
			if (!empty($chem_compinfo_xml->availability)) { $available = $chem_compinfo_xml->availability; }
			if (!empty($chem_compinfo_xml->molformula)) { $molformula = $chem_compinfo_xml->molformula; }
			if (!empty($chem_compinfo_xml->molweight)) { $molweight = $chem_compinfo_xml->molweight; }
			if (!empty($chem_compinfo_xml->saltdata)) { $saltdata = $chem_compinfo_xml->saltdata; }
			if (!empty($chem_compinfo_xml->logp)) { $logp = $chem_compinfo_xml->logp; }
			if (!empty($chem_compinfo_xml->logs)) { $logs = $chem_compinfo_xml->logs; }
			if (!empty($chem_compinfo_xml->tpsa)) { $tpsa = $chem_compinfo_xml->tpsa; }
			if (!empty($chem_compinfo_xml->chiral)) { $chiral = $chem_compinfo_xml->chiral; }
			if (!empty($chem_compinfo_xml->hacceptors)) { $hacceptors = $chem_compinfo_xml->hacceptors; }
			if (!empty($chem_compinfo_xml->hdonors)) { $hdonors = $chem_compinfo_xml->hdonors; }
			if (!empty($chem_compinfo_xml->rotatablebonds)) { $rotatablebonds = $chem_compinfo_xml->rotatablebonds; }
			if (!empty($chem_compinfo_xml->ratoralld50)) { $ratoralld50 = $chem_compinfo_xml->ratoralld50; }
			if (!empty($chem_compinfo_xml->loael)) { $loael = $chem_compinfo_xml->loael; }
			if (!empty($chem_compinfo_xml->ames)) { $ames = $chem_compinfo_xml->ames; }
			if (!empty($chem_compinfo_xml->dtp)) { $dtp = $chem_compinfo_xml->dtp; }
			if (!empty($chem_compinfo_xml->mdlnumber)) { $mdlnumber = $chem_compinfo_xml->mdlnumber; }
			if (!empty($chem_compinfo_xml->name)) { $name = $chem_compinfo_xml->name; }
			if (!empty($chem_compinfo_xml->inchi)) { $inchi = $chem_compinfo_xml->inchi; }
			if (!empty($chem_compinfo_xml->inchikey)) { $inchikey = $chem_compinfo_xml->inchikey; }
			if (!empty($chem_compinfo_xml->smiles)) { $smiles = $chem_compinfo_xml->smiles; }
			if (!empty($chem_compinfo_xml->molfile)) { $molfile = $chem_compinfo_xml->molfile; }
		}			
		return array (
			'available' => $available,
			'molformula' => $molformula,
			'molweight' => $molweight,
			'saltdata' => $saltdata,
			'logp' => $logp,
			'logs' => $logs,
			'tpsa' => $tpsa,
			'chiral' => $chiral,
			'hacceptors' => $hacceptors,
			'hdonors' => $hdonors,
			'rotatablebonds' => $rotatablebonds,
			'ratoralld50' => $ratoralld50,
			'loael' => $loael,
			'ames' => $ames,
			'dtp' => $dtp,
			'mdlnumber' => $mdlnumber,
			'name' => $name,
			'inchi' => $inchi,
			'inchikey' => $inchikey,
			'smiles' =>  $smiles,
			'molfile' => $molfile
		);
	}
}
// Get our posted data if the service is being consumed
// otherwise leave this data blank.
$POST_DATA = "";
if (!empty(file_get_contents('php://input'))) { $POST_DATA = file_get_contents('php://input'); }
 
// pass our posted data (or nothing) to the soap service
$server->service($POST_DATA);
exit(); 
?>