/* Rajarshi Guha <rajarshi@presidency.com>
 * 02/03/2006
 *
 * Based on code written by Marty Hall
 */

import org.apache.axis.client.Call;
import org.apache.axis.client.Service;
import org.apache.axis.encoding.XMLType;
import org.apache.axis.AxisFault;
import javax.xml.namespace.QName;
import javax.xml.rpc.ParameterMode;

import java.io.*;
import java.util.Vector;
import java.util.Iterator;

public class CDKstruct3DClient 
{
    private Call call;
    private QName qn;
    private boolean requestError; 
    private String requestErrorMessage; 

    // Initialize the Axis setup
    public CDKstruct3DClient(String host) {
        String endpoint = "http://localhost:8080/axis/services/CDKstruct3D";
	if (host != null) {
	    endpoint = host;
	}
        try {
            Service  service = new Service();
            call = (Call) service.createCall();
            call.setTargetEndpointAddress( new java.net.URL(endpoint) );
        } catch (Throwable t) {
            handleError("CDKwsClient (constructor) had an Exception.",t);
        }
    }
  	
    // Return true in an error was found 
    public boolean error() {
        return requestError;
    }  

    // Return the error message 
    public String getErrorText() {
        String msg;
        if (requestError) {
            msg = requestErrorMessage;
        } else {
            msg = "";
        }  
        return msg;
    }

    public String getCoords(String[] args) {
        try {
            call.removeAllParameters();
            call.setOperationName( "get3DCoordinates" );
            call.addParameter( "smiles", XMLType.XSD_STRING, ParameterMode.IN);
            call.addParameter( "forceField", XMLType.XSD_STRING, ParameterMode.IN);
            call.setReturnType( XMLType.XSD_STRING );

            String ret = (String)call.invoke( new Object[] { args[0],args[1] });
            System.out.println("CDKdescClient got result : ");
            System.out.println(ret);
            return ret;
        } catch (Throwable t) {
            handleError("CDKstruct3DClient (getCoords) had an Exception.",t);
            return null;
        }
    }

    // Set error flags, print stack trace
    public void handleError(String text, Throwable t) { 
        requestError = true;
        requestErrorMessage = t.toString();
        System.out.println(text);
        System.out.println(t);
        t.printStackTrace();
        return;
    }  

    // Test program
    public static void main(String [] args) {
	if (args.length < 1) {
	    System.out.println("Usage: java CDKstruct3DClient SMILES [forceField] [host]\n");
	    System.out.println("SMILES     is a valid SMILES string. Note that strings\n"+
			       "           representing rings may not work very well\n"+
			       "forceField is optional and currently the only possible\n"+
			       "           values are mm2 or mmf94\n\n");
	    System.out.println("host       can be a valid AXIS server. By default the host");
	    System.out.println("           is set to http://localhost:8080/axis/services/CDKdesc\n");
	    System.exit(0);
	}

        try {
            String molstr = args[0];
	    String ff = "mm2";
	    String host = null;
	    if (args.length >= 2) {
		ff = args[1];
	    }
	    if (args.length == 3) {
		host = args[2];
	    }
            CDKstruct3DClient sr = new CDKstruct3DClient(host);
            String[] wsargs = {molstr,ff};
            sr.getCoords(wsargs);
        } catch (Exception e) {
            System.out.println(e.toString());
        }
    }
}