trunk/src/compareCMs.java

import java.util.HashMap;

import owl.core.structure.*;


public class compareCMs {

        /**
         * @param args
         */
        public static void main(String[] args) throws Exception {
                
                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);
                pdb1.load(chaincode1);
                Pdb pdb2 = new PdbasePdb(pdbcode2);
                pdb2.load(chaincode2);

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

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

}
Revision:	1005
Committed:	Wed Mar 31 12:29:26 2010 UTC (14 years, 6 months ago) by hstehr
File size:	1139 byte(s)
Log Message:	refactoring: renaming proteinstructure to structure and tools to util; moving connections,features,runners,sequence,structure,util to owl.core
Line	User	Rev	File contents
1	duarte	189	import java.util.HashMap;
2
3	hstehr	1005	import owl.core.structure.*;
4	duarte	189
5	hstehr	1005
6	duarte	189	public class compareCMs {
7
8			/**
9			* @param args
10			*/
11	duarte	441	public static void main(String[] args) throws Exception {
12	duarte	189
13			String onlyIn1File="onlyin1.graph";
14			String onlyIn2File="onlyin2.graph";
15			String commonFile="common.graph";
16
17
18			String pdbcode1="1ses";
19			String chaincode1="A";
20			String pdbcode2="1set";
21			String chaincode2="A";
22
23
24			System.out.println("loading structures from pdbase");
25	duarte	441	Pdb pdb1 = new PdbasePdb(pdbcode1);
26			pdb1.load(chaincode1);
27			Pdb pdb2 = new PdbasePdb(pdbcode2);
28			pdb2.load(chaincode2);
29	duarte	189
30			System.out.println("getting graphs");
31	duarte	950	RIGraph graph1 = pdb1.getRIGraph("ALL", 4.2);
32			RIGraph graph2 = pdb2.getRIGraph("ALL", 4.2);
33	duarte	189
34	duarte	423	HashMap<String,RIGraph> comparison = graph1.compare(graph2);
35	duarte	189
36	duarte	423	RIGraph onlyIn1 = comparison.get("onlythis");
37			RIGraph onlyIn2 = comparison.get("onlyother");
38			RIGraph common = comparison.get("common");
39	duarte	189
40			System.out.println("writing output files "+onlyIn1File+", "+onlyIn2File+", "+commonFile);
41	duarte	953	onlyIn1.writeToFile(onlyIn1File);
42			onlyIn2.writeToFile(onlyIn2File);
43			common.writeToFile(commonFile);
44	duarte	189
45
46
47			}
48
49			}