package com.chemspider.www.examples;

import java.util.HashMap;
import java.util.Map;

import javax.swing.JOptionPane;

import org.apache.log4j.BasicConfigurator;
import org.apache.log4j.Level;
import org.apache.log4j.Logger;

import com.chemspider.www.*;
import com.chemspider.www.InChIStub.InChIToCSIDResponse;
import com.chemspider.www.SearchStub.GetAsyncSearchResultResponse;
import com.chemspider.www.SearchStub.GetAsyncSearchStatusResponse;
import com.chemspider.www.SearchStub.SimpleSearchResponse;
import com.chemspider.www.MassSpecAPIStub.ArrayOfInt;
import com.chemspider.www.MassSpecAPIStub.ArrayOfString;
import com.chemspider.www.MassSpecAPIStub.ExtendedCompoundInfo;
import com.chemspider.www.MassSpecAPIStub.GetDatabasesResponse;
import com.chemspider.www.MassSpecAPIStub.GetExtendedCompoundInfoArrayResponse;
import com.chemspider.www.MassSpecAPIStub.SearchByMassAsyncResponse;


public class WebServiceExamples {

	/**
	 * @param args
	 */
	
	private static final Logger LOG = Logger.getLogger(WebServiceExamples.class.getName());
	
	private static String ChemSpiderToken = "YOU NEED TO INSERT YOUR OWN TOKEN IN HERE";
	
	public static void main(String[] args) {
		BasicConfigurator.configure();
		
		JOptionPane.showMessageDialog(null, "The compound with InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H has CSID:"+get_InChI_InChIToCSID_Results("InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H"));
		
		int[] SimpleSearchResults = get_Search_SimpleSearch_Results("taxol", ChemSpiderToken);
		JOptionPane.showMessageDialog(null, "The first of "+SimpleSearchResults.length+" ChemSpider compound(s) returned by a search for Taxol has CSID:"+SimpleSearchResults[0]);
		
		int[] inputCSIDs = new int[2];
		inputCSIDs[0] = 236;
		inputCSIDs[1] = 238;
		Map<Integer, Map<String,String>> GetExtendedCompoundInfoArrayResults = get_MassSpecAPI_GetExtendedCompoundInfoArray_Results(inputCSIDs, ChemSpiderToken);
		Map<String,String> thisCompoundInfo = GetExtendedCompoundInfoArrayResults.get(238);
		JOptionPane.showMessageDialog(null, "The Average Mass of the compound with CSID 238 is: "+thisCompoundInfo.get("AverageMass"));
		
		String[] GetDatabaseResults = get_MassSpecAPI_GetDatabases_Results();
		JOptionPane.showMessageDialog(null, "The first of "+GetDatabaseResults.length+" datasources in ChemSpider is:"+GetDatabaseResults[0]);
		
		String SearchByMassAsyncResults = get_MassSpecAPI_SearchByMassAsync_Results(1100.0, 0.1,GetDatabaseResults, ChemSpiderToken);
		JOptionPane.showMessageDialog(null, "Transaction ID for search on compounds with mass = 1100+/- 0.1 from any data source is" + SearchByMassAsyncResults);
		JOptionPane.showMessageDialog(null, "The operation status of the search with this transaction ID is" + get_Search_GetAsyncSearchStatus_Results(SearchByMassAsyncResults, ChemSpiderToken));
		int[] GetAsyncSearchResultResults = get_Search_GetAsyncSearchResult_Results(SearchByMassAsyncResults, ChemSpiderToken);
		JOptionPane.showMessageDialog(null, "And the first of "+GetAsyncSearchResultResults.length+" ChemSpider compound(s) returned by the search has CSID:"+GetAsyncSearchResultResults[0]);
	}
	
	/**
	 * Function to call the InChIToCSID operation of ChemSpider's InChI SOAP 1.2 webservice (http://www.chemspider.com/InChI.asmx?op=InChIToCSID)
	 * Convert InChI to ChemSpider ID.
	 * 
	 * @param inchi: string representing inchi to search ChemSpider for
	 * @return: string representing CSID returned
	 */
	public static String get_InChI_InChIToCSID_Results(String inchi) {
		String Output = null;
		try {

			final InChIStub thisInChIstub = new InChIStub();
			com.chemspider.www.InChIStub.InChIToCSID InChIToCSIDInput = new com.chemspider.www.InChIStub.InChIToCSID();
			InChIToCSIDInput.setInchi(inchi);
			final InChIToCSIDResponse thisInChIToCSIDResponse = thisInChIstub.inChIToCSID(InChIToCSIDInput);
			Output = thisInChIToCSIDResponse.getInChIToCSIDResult();
		} catch (Exception e) {
			LOG.log(Level.ERROR, "Problem retrieving ChemSpider webservices", e);
		}
		return Output;
	}
	
	/**
	 * Function to call the SimpleSearch operation of ChemSpider's Search SOAP 1.2 webservice (http://www.chemspider.com/search.asmx?op=SimpleSearch)
	 * Search by Name, SMILES, InChI, InChIKey, etc. Returns a list of found CSIDs (first 100 - please use AsyncSimpleSearch instead if you like to get the full list). Security token is required.
	 * 
	 * @param query: String representing search term (can be Name, SMILES, InChI, InChIKey)
	 * @param token: string containing your user token (listed at your http://www.chemspider.com/UserProfile.aspx page)
	 * @return: int[] array containing the ChemSpider IDs. If more than 100 are found then only the first 100 are returned. 
	 */
	public static int[] get_Search_SimpleSearch_Results(String query, String token) {
		int[] Output = null;
		try {
			final SearchStub thisSearchStub = new SearchStub();
			com.chemspider.www.SearchStub.SimpleSearch SimpleSearchInput = new com.chemspider.www.SearchStub.SimpleSearch();
			SimpleSearchInput.setQuery(query);
			SimpleSearchInput.setToken(token);
			final SimpleSearchResponse thisSimpleSearchResponse = thisSearchStub.simpleSearch(SimpleSearchInput);
			Output = thisSimpleSearchResponse.getSimpleSearchResult().get_int();
		} catch (Exception e) {
			LOG.log(Level.ERROR, "Problem retrieving ChemSpider webservices", e);
		}
		return Output;
	}
	
	
	/**
	 *  Function to call the GetDatabases operation of ChemSpider's MassSpecAPI SOAP 1.2 webservice (http://www.chemspider.com/massspecapi.asmx?op=GetDatabases)
	 *  Get the list of datasources in ChemSpider.
	 *  
	 * @return: the list of datasources in ChemSpider as a String Array
	 */
	public static String[] get_MassSpecAPI_GetDatabases_Results() {
		String[] Output = null;
		try {

			final MassSpecAPIStub thisMassSpecAPIStub = new MassSpecAPIStub();
			com.chemspider.www.MassSpecAPIStub.GetDatabases getDatabaseInput = new com.chemspider.www.MassSpecAPIStub.GetDatabases();
			final GetDatabasesResponse thisGetDatabasesResponse = thisMassSpecAPIStub.getDatabases(getDatabaseInput);
			Output = thisGetDatabasesResponse.getGetDatabasesResult().getString();
		} catch (Exception e) {
			LOG.log(Level.ERROR, "Problem retrieving ChemSpider webservices", e);
		}
		return Output;
	}

	/**
	 * Function to call the GetExtendedCompoundInfoArray operation of ChemSpider's MassSpecAPI SOAP 1.2 webservice (http://www.chemspider.com/massspecapi.asmx?op=GetExtendedCompoundInfoArray)
	 * Get array of extended record details by an array of CSIDs. Security token is required.
	 * 
	 * @param CSIDs: integer array containing the CSIDs of compounds for which information will be returned
	 * @param token: string containing your user token (listed at your http://www.chemspider.com/UserProfile.aspx page)
	 * @return: a Map<Integer CSID,Map<String Property,String Value>> containing the results array for each CSID (with Properties CSID, MF, SMILES, InChIKey, AverageMass, MolecularWeight, MonoisotopicMass, NominalMass, ALogP, XLogP, CommonName) 
	 */
	public static Map<Integer, Map<String,String>> get_MassSpecAPI_GetExtendedCompoundInfoArray_Results(int[] CSIDs, String token) {
		Map<Integer, Map<String,String>> Output = new HashMap<Integer, Map<String,String>>();
		try {
			final MassSpecAPIStub thisMassSpecAPIStub = new MassSpecAPIStub();
			ArrayOfInt inputCSIDsArrayofInt = new ArrayOfInt();
			inputCSIDsArrayofInt.set_int(CSIDs);
			com.chemspider.www.MassSpecAPIStub.GetExtendedCompoundInfoArray getGetExtendedCompoundInfoArrayInput = new com.chemspider.www.MassSpecAPIStub.GetExtendedCompoundInfoArray();
			getGetExtendedCompoundInfoArrayInput.setCSIDs(inputCSIDsArrayofInt);
			getGetExtendedCompoundInfoArrayInput.setToken(token);
			final GetExtendedCompoundInfoArrayResponse thisGetExtendedCompoundInfoArrayResponse = thisMassSpecAPIStub.getExtendedCompoundInfoArray(getGetExtendedCompoundInfoArrayInput);
			ExtendedCompoundInfo[] thisExtendedCompoundInfo = thisGetExtendedCompoundInfoArrayResponse.getGetExtendedCompoundInfoArrayResult().getExtendedCompoundInfo();
			for (int i=0; i<thisExtendedCompoundInfo.length; i++) {
				Map<String,String> thisCompoundExtendedCompoundInfoArrayOutput = new HashMap<String, String>();
				thisCompoundExtendedCompoundInfoArrayOutput.put("CSID", Integer.toString(thisExtendedCompoundInfo[i].getCSID()));
				thisCompoundExtendedCompoundInfoArrayOutput.put("MF", thisExtendedCompoundInfo[i].getMF());
				thisCompoundExtendedCompoundInfoArrayOutput.put("SMILES", thisExtendedCompoundInfo[i].getSMILES());
				thisCompoundExtendedCompoundInfoArrayOutput.put("InChI", thisExtendedCompoundInfo[i].getInChI());
				thisCompoundExtendedCompoundInfoArrayOutput.put("InChIKey", thisExtendedCompoundInfo[i].getInChIKey());
				thisCompoundExtendedCompoundInfoArrayOutput.put("AverageMass", Double.toString(thisExtendedCompoundInfo[i].getAverageMass()));
				thisCompoundExtendedCompoundInfoArrayOutput.put("MolecularWeight", Double.toString(thisExtendedCompoundInfo[i].getMolecularWeight()));
				thisCompoundExtendedCompoundInfoArrayOutput.put("MonoisotopicMass", Double.toString(thisExtendedCompoundInfo[i].getMonoisotopicMass()));
				thisCompoundExtendedCompoundInfoArrayOutput.put("NominalMass", Double.toString(thisExtendedCompoundInfo[i].getNominalMass()));
				thisCompoundExtendedCompoundInfoArrayOutput.put("ALogP", Double.toString(thisExtendedCompoundInfo[i].getALogP()));
				thisCompoundExtendedCompoundInfoArrayOutput.put("XLogP", Double.toString(thisExtendedCompoundInfo[i].getXLogP()));
				thisCompoundExtendedCompoundInfoArrayOutput.put("CommonName", thisExtendedCompoundInfo[i].getCommonName());
				Output.put(thisExtendedCompoundInfo[i].getCSID(), thisCompoundExtendedCompoundInfoArrayOutput);
			}
			
		} catch (Exception e) {
			LOG.log(Level.ERROR, "Problem retrieving ChemSpider webservices", e);
		}
		return Output;
	}
	
	/**
	 * Function to call the SearchByMass2 operation of ChemSpider's MassSpecAPI SOAP 1.2 webservice (http://www.chemspider.com/massspecapi.asmx?op=SearchByMass2)
	 * Search ChemSpider by mass +/- range.
	 * 
	 * @param Mass: The compounds returned have a mass (Double) within the range Mass +/- Range
	 * @param Range: The compounds returned have a mass (Double) within the range Mass +/- Range
	 * @return: the ChemSpider IDs of compounds returned (as a String Array)
	 */
	public static String get_MassSpecAPI_SearchByMassAsync_Results(Double mass, Double range, String[] dbs, String token) {
		String Output = null;
		try {
			final MassSpecAPIStub thisMassSpecAPIStub = new MassSpecAPIStub();
			com.chemspider.www.MassSpecAPIStub.SearchByMassAsync getSearchByMassAsyncInput = new com.chemspider.www.MassSpecAPIStub.SearchByMassAsync();
			getSearchByMassAsyncInput.setMass(mass);
			getSearchByMassAsyncInput.setRange(range);
			ArrayOfString inputDBsArrayofString = new ArrayOfString();
			inputDBsArrayofString.setString(dbs);
			getSearchByMassAsyncInput.setDbs(inputDBsArrayofString);
			getSearchByMassAsyncInput.setToken(token);
			final SearchByMassAsyncResponse thisSearchByMassAsyncResponse = thisMassSpecAPIStub.searchByMassAsync(getSearchByMassAsyncInput);
			Output = thisSearchByMassAsyncResponse.getSearchByMassAsyncResult();
		} catch (Exception e) {
			LOG.log(Level.ERROR, "Problem retrieving ChemSpider webservices", e);
		}
		return Output;
	}
	
	/**
	 * Function to call the GetAsyncSearchStatus operation of ChemSpider's Search SOAP 1.2 webservice (http://www.chemspider.com/search.asmx?op=GetAsyncSearchStatus)
	 * Query asynchronous operation status. Requires transaction ID returned by AsynchSearch operation. Security token is required.
	 * 
	 * @param rid: String representing transaction ID returned from a previous search
	 * @param token: string containing your user token (listed at your http://www.chemspider.com/UserProfile.aspx page)
	 * @return: String describing status of this search - can have values Unknown or Created or Scheduled or Processing or Suspended or PartialResultReady or ResultReady or Failed or TooManyRecords
	 */
	public static String get_Search_GetAsyncSearchStatus_Results(String rid, String token) {
		String Output = null;
		try {
			final SearchStub thisSearchStub = new SearchStub();
			com.chemspider.www.SearchStub.GetAsyncSearchStatus GetAsyncSearchStatusInput = new com.chemspider.www.SearchStub.GetAsyncSearchStatus();
			GetAsyncSearchStatusInput.setRid(rid);
			GetAsyncSearchStatusInput.setToken(token);
			final GetAsyncSearchStatusResponse thisGetAsyncSearchStatusResponse = thisSearchStub.getAsyncSearchStatus(GetAsyncSearchStatusInput);
			Output = thisGetAsyncSearchStatusResponse.getGetAsyncSearchStatusResult().toString();
		} catch (Exception e) {
			LOG.log(Level.ERROR, "Problem retrieving ChemSpider webservices", e);
		}
		return Output;
	}
	
	/**
	 * Function to call the GetAsyncSearchResult operation of ChemSpider's Search SOAP 1.2 webservice (http://www.chemspider.com/search.asmx?op=GetAsyncSearchResult)
	 * Returns the list of CSIDs found by AsynchSearch operation. Security token is required.
	 * 
	 * @param rid: String representing transaction ID returned from a previous search
	 * @param token: string containing your user token (listed at your http://www.chemspider.com/UserProfile.aspx page)
	 * @return: int[] array containing the ChemSpider IDs.
	 */
	public static int[] get_Search_GetAsyncSearchResult_Results(String rid, String token) {
		int[] Output = null;
		try {
			final SearchStub thisSearchStub = new SearchStub();
			com.chemspider.www.SearchStub.GetAsyncSearchResult GetAsyncSearchResultInput = new com.chemspider.www.SearchStub.GetAsyncSearchResult();
			GetAsyncSearchResultInput.setRid(rid);
			GetAsyncSearchResultInput.setToken(token);
			final GetAsyncSearchResultResponse thisGetAsyncSearchResultResponse = thisSearchStub.getAsyncSearchResult(GetAsyncSearchResultInput);
			Output = thisGetAsyncSearchResultResponse.getGetAsyncSearchResultResult().get_int();
		} catch (Exception e) {
			LOG.log(Level.ERROR, "Problem retrieving ChemSpider webservices", e);
		}
		return Output;
	}
	
}