owl/trunk/testPyMol.java

import java.io.FileNotFoundException;
import java.io.PrintWriter;
import java.io.OutputStream;
import java.io.FileOutputStream;

import tools.PyMol;
import tools.PymolServerOutputStream;
import tools.MultiOutputStream;

public class testPyMol {

        /**
         * Test class for the PyMol class (our java to PyMol API) 
         * @param file where PyMol script will be written
         * @author duarte
         */
        public static void main(String[] args) {
                String file = "";
                boolean server=false;
                if (args.length<1){
                        System.err.println("Give at least one file argument");
                        System.exit(1);
                }               
                file = args[0];
                if (args.length>1){ // two arguments: output both file and server
                        server=true;
                }
                
                
                String url = "http://anthrazit:9123";
                
                String pdbFileName = "/project/StruPPi/jose/tinker/benchmarking/1bxy_A.pdb";

                PrintWriter Out = null;         
                
                // to output only to server we would need the following PrintWriter
                //Out = new PrintWriter(new PymolServerOutputStream(url),true);
                
                if (server){
                        OutputStream os1 = new PymolServerOutputStream(url);
                        OutputStream os2 = null;
                        try {
                                os2 = new FileOutputStream(file);
                        } catch (FileNotFoundException e) {
                                e.printStackTrace();
                                System.exit(2);
                        }
                        OutputStream multi = new MultiOutputStream(os1, os2);
                        Out = new PrintWriter(multi, true);
                } else {
                        try {
                                Out = new PrintWriter(new FileOutputStream(file),true);
                        } catch (FileNotFoundException e) {
                                e.printStackTrace();
                                System.exit(1);
                        }
                }
                
                PyMol mypymol = new PyMol(Out);
                
                mypymol.loadPDB(pdbFileName);
                // more pymol commands

        }

}
Revision:	114
Committed:	Tue Feb 27 08:49:10 2007 UTC (17 years, 7 months ago) by duarte
File size:	1590 byte(s)
Log Message:	Initial commit. PyMol API script example, also using our PymolServerOutputStream to send commands directly to server
Line	User	Rev	File contents
1	duarte	114	import java.io.FileNotFoundException;
2			import java.io.PrintWriter;
3			import java.io.OutputStream;
4			import java.io.FileOutputStream;
5
6			import tools.PyMol;
7			import tools.PymolServerOutputStream;
8			import tools.MultiOutputStream;
9
10			public class testPyMol {
11
12			/**
13			* Test class for the PyMol class (our java to PyMol API)
14			* @param file where PyMol script will be written
15			* @author duarte
16			*/
17			public static void main(String[] args) {
18			String file = "";
19			boolean server=false;
20			if (args.length<1){
21			System.err.println("Give at least one file argument");
22			System.exit(1);
23			}
24			file = args[0];
25			if (args.length>1){ // two arguments: output both file and server
26			server=true;
27			}
28
29
30			String url = "http://anthrazit:9123";
31
32			String pdbFileName = "/project/StruPPi/jose/tinker/benchmarking/1bxy_A.pdb";
33
34			PrintWriter Out = null;
35
36			// to output only to server we would need the following PrintWriter
37			//Out = new PrintWriter(new PymolServerOutputStream(url),true);
38
39			if (server){
40			OutputStream os1 = new PymolServerOutputStream(url);
41			OutputStream os2 = null;
42			try {
43			os2 = new FileOutputStream(file);
44			} catch (FileNotFoundException e) {
45			e.printStackTrace();
46			System.exit(2);
47			}
48			OutputStream multi = new MultiOutputStream(os1, os2);
49			Out = new PrintWriter(multi, true);
50			} else {
51			try {
52			Out = new PrintWriter(new FileOutputStream(file),true);
53			} catch (FileNotFoundException e) {
54			e.printStackTrace();
55			System.exit(1);
56			}
57			}
58
59			PyMol mypymol = new PyMol(Out);
60
61			mypymol.loadPDB(pdbFileName);
62			// more pymol commands
63
64			}
65
66			}