branches/aglappe-jung/compareCMs.java

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


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.get_graph("ALL", 4.2);
                RIGraph graph2 = pdb2.get_graph("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.write_graph_to_file(onlyIn1File);
                onlyIn2.write_graph_to_file(onlyIn2File);
                common.write_graph_to_file(commonFile);
                
                
        }

}
Revision:	441
Committed:	Thu Nov 29 15:19:37 2007 UTC (16 years, 10 months ago) by duarte
File size:	1158 byte(s)
Log Message:	Now Pdb constructors don't load data but rather intialise the pdbCode, loading occurs upon call of load(pdbChainCode,modelSerial) New methods getChains() and getModels() in all Pdb classes New Exception PdbLoadError New tester for getChains and getModels: testGetChains Changed all calls to Pdb construction accordingly (includes changing excpetions)
Line	User	Rev	File contents
1	duarte	207	import proteinstructure.*;
2	duarte	189	import java.util.HashMap;
3
4
5			public class compareCMs {
6
7			/**
8			* @param args
9			*/
10	duarte	441	public static void main(String[] args) throws Exception {
11	duarte	189
12			String onlyIn1File="onlyin1.graph";
13			String onlyIn2File="onlyin2.graph";
14			String commonFile="common.graph";
15
16
17			String pdbcode1="1ses";
18			String chaincode1="A";
19			String pdbcode2="1set";
20			String chaincode2="A";
21
22
23			System.out.println("loading structures from pdbase");
24	duarte	441	Pdb pdb1 = new PdbasePdb(pdbcode1);
25			pdb1.load(chaincode1);
26			Pdb pdb2 = new PdbasePdb(pdbcode2);
27			pdb2.load(chaincode2);
28	duarte	189
29			System.out.println("getting graphs");
30	duarte	423	RIGraph graph1 = pdb1.get_graph("ALL", 4.2);
31			RIGraph graph2 = pdb2.get_graph("ALL", 4.2);
32	duarte	189
33	duarte	423	HashMap<String,RIGraph> comparison = graph1.compare(graph2);
34	duarte	189
35	duarte	423	RIGraph onlyIn1 = comparison.get("onlythis");
36			RIGraph onlyIn2 = comparison.get("onlyother");
37			RIGraph common = comparison.get("common");
38	duarte	189
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			}