owl/trunk/compareCMs.java

import java.io.IOException;

import proteinstructure.*;
import java.util.HashMap;


public class compareCMs {

        /**
         * @param args
         */
        public static void main(String[] args) throws Exception, IOException, PdbaseInconsistencyError, PdbCodeNotFoundError, PdbChainCodeNotFoundError, MsdsdInconsistentResidueNumbersError{
                
                String onlyIn1File="onlyin1.graph";
                String onlyIn2File="onlyin2.graph";
                String commonFile="common.graph";
                
                
                String pdbcode1="1ses";
                String chaincode1="A";
                String pdbcode2="1set";
                String chaincode2="A";

                
                System.out.println("loading structures from pdbase");
                Pdb pdb1 = new PdbasePdb(pdbcode1,chaincode1); 
                Pdb pdb2 = new PdbasePdb(pdbcode2,chaincode2);

                System.out.println("getting graphs");
                Graph graph1 = pdb1.get_graph("ALL", 4.2);
                Graph graph2 = pdb2.get_graph("ALL", 4.2);

                HashMap<String,Graph> comparison = graph1.compare(graph2);
                
                Graph onlyIn1 = comparison.get("onlythis");
                Graph onlyIn2 = comparison.get("onlyother");
                Graph common = comparison.get("common");
                
                System.out.println("writing output files "+onlyIn1File+", "+onlyIn2File+", "+commonFile);
                onlyIn1.write_graph_to_file(onlyIn1File);
                onlyIn2.write_graph_to_file(onlyIn2File);
                common.write_graph_to_file(commonFile);
                
                
        }

}
Revision:	215
Committed:	Thu Jun 28 15:43:04 2007 UTC (17 years, 3 months ago) by stehr
File size:	1273 byte(s)
Log Message:	some clean up of exceptions in Pdb and Graph classes: merged PdbAcCodeNotFoundError and MsdAcCodeNotFoundError into PdbCodeNotFoundError, created new PdbChainCodeNotFound, got rid of stderr output, throwing exceptions with informative messages instead
Line	User	Rev	File contents
1	duarte	189	import java.io.IOException;
2
3	duarte	207	import proteinstructure.*;
4	duarte	189	import java.util.HashMap;
5
6
7			public class compareCMs {
8
9			/**
10			* @param args
11			*/
12	stehr	215	public static void main(String[] args) throws Exception, IOException, PdbaseInconsistencyError, PdbCodeNotFoundError, PdbChainCodeNotFoundError, MsdsdInconsistentResidueNumbersError{
13	duarte	189
14			String onlyIn1File="onlyin1.graph";
15			String onlyIn2File="onlyin2.graph";
16			String commonFile="common.graph";
17
18
19			String pdbcode1="1ses";
20			String chaincode1="A";
21			String pdbcode2="1set";
22			String chaincode2="A";
23
24
25			System.out.println("loading structures from pdbase");
26	duarte	207	Pdb pdb1 = new PdbasePdb(pdbcode1,chaincode1);
27			Pdb pdb2 = new PdbasePdb(pdbcode2,chaincode2);
28	duarte	189
29			System.out.println("getting graphs");
30			Graph graph1 = pdb1.get_graph("ALL", 4.2);
31			Graph graph2 = pdb2.get_graph("ALL", 4.2);
32
33			HashMap<String,Graph> comparison = graph1.compare(graph2);
34
35			Graph onlyIn1 = comparison.get("onlythis");
36			Graph onlyIn2 = comparison.get("onlyother");
37			Graph common = comparison.get("common");
38
39			System.out.println("writing output files "+onlyIn1File+", "+onlyIn2File+", "+commonFile);
40			onlyIn1.write_graph_to_file(onlyIn1File);
41			onlyIn2.write_graph_to_file(onlyIn2File);
42			common.write_graph_to_file(commonFile);
43
44
45
46			}
47
48			}