owl/trunk/iterateNbhood.java

import tools.MySQLConnection;

import java.sql.SQLException;
import java.sql.Statement;
import java.sql.ResultSet;

public class iterateNbhood {

        /**
         *  
         * exchange of one neighbor at a time by a common neighbor 
         * @author lappe
         */
        
        static String user = "lappe"    ; // change user name!!
        static MySQLConnection conn;
        
        
        public static void main(String[] args) {
                
            if (args.length<2){
                        System.err.println("The graph_id and residue-nr. needs to be given .... i.e. 9 28");
                        System.exit(1);
                }               
                int graphid = Integer.parseInt( args[0]);
                int resnr = Integer.parseInt( args[1]); 
                int n1=0, n2=0, ni=0, nj=0, j_num=0, lastNum=0, i, j; 
                conn = new MySQLConnection("white",user,"nieve","pdb_reps_graph_4_2_a"); 
                String sql, j_res; 
                Statement stmt, jst;  
                ResultSet rsst, jrs;
                
                try {
                        System.out.println("getting direct neighborhood ... "); 
                        stmt = conn.createStatement();
                        stmt.executeUpdate("drop table if exists temp_shell;"); 
                        stmt.close(); 
        
                        stmt = conn.createStatement();
                        stmt.executeUpdate("create table temp_shell as select i_num, i_res, j_num, j_res, j_sstype, 1 as shell from single_model_edge where graph_id="+graphid+" and i_num="+resnr+";");
                        stmt.close(); 
        
                        System.out.println("building the 2nd shell");  
                        sql = "select j_num, j_res, j_sstype from temp_shell where shell=1;";
                        stmt = conn.createStatement();
                        rsst = stmt.executeQuery(sql);
                        while (rsst.next()) {
                                n1++; 
                                j_num = rsst.getInt(1);
                                System.out.println(n1+":"+j_num); 
                                jst = conn.createStatement();
                                sql = "insert into temp_shell select i_num, i_res, j_num, j_res, j_sstype, 2 as shell from single_model_edge where graph_id="+graphid+" and i_num="+j_num+";";
                                // System.out.println(">"+sql); 
                                jst.executeUpdate( sql); 
                                jst.close(); 
                        } // end while 
                        rsst.close(); 
                        stmt.close(); 
                        
                        System.out.println("geting the entire 2st and 2nd shell");  
                        sql = "select j_num, j_res, j_sstype, min(shell) as shell, count(*) as cn from temp_shell group by j_num;";
                        stmt = conn.createStatement();
                        rsst = stmt.executeQuery(sql);
                        // counting shell2
                        n2=0; 
                        while (rsst.next()) {
                                if ( rsst.getInt( 4)==2) n2++;
                                System.out.println(n2+":"+rsst.getInt( 1)+"\t"+rsst.getString( 2)+"\t"+rsst.getString( 3)+"\t"+rsst.getInt( 4)+"\t"+rsst.getInt( 5)); 
                        } // end while 
                        System.out.println("SIZE 1st shell "+n1); 
                        System.out.println("SIZE 2nd shell "+n2);
                        
                        for (i=0; i<=n1; i++) { // 1st loop through all direct contacts
                                System.out.print(i+" - "); 
                                for (j=1; j<=n2; j++) { // 2nd loop through all indirect contacts
                                        System.out.print(j+":");
                                        
                                        // if j_num == resnr -> then x 
                                /*
                                lastNum=0;
                                nj = 0; 
                                rsst.beforeFirst();
                                while (rsst.next()) {
                                        nj++; 
                                        j_num = rsst.getInt( 1); 
                                        j_res = rsst.getString(2);
                                        if (nj!=i) { // this is the neighbor 2 B dropped 
                                                if (lastNum<resnr && resnr<j_num) {
                                                        System.out.print("%"+nj+"x"); 
                                                }
                                                System.out.print("%"+j_res);
                                        } 
                                        lastNum = j_num; 
                                } // end while
                                */  
                                        
                         
                                } // close for loop 2 (j)
                                System.out.println(".");
                        } // next loop 1 (i)
                        rsst.close(); 
                        stmt.close(); 
                        
                        // Summarize 
                        
                        
                        
                } catch (SQLException e) {
                        e.printStackTrace();
                        System.err.println("SQLException: " + e.getMessage());
                        System.err.println("SQLState:     " + e.getSQLState());
                } // end try/catch 
                System.out.println("fin."); 
        }       

                

}
Revision:	166
Committed:	Thu May 24 16:19:00 2007 UTC (17 years, 9 months ago) by lappe
File size:	3483 byte(s)
Log Message:	First version of exchange routine contact vs. CN - non functional
Line	User	Rev	File contents
1	lappe	166	import tools.MySQLConnection;
2
3			import java.sql.SQLException;
4			import java.sql.Statement;
5			import java.sql.ResultSet;
6
7			public class iterateNbhood {
8
9			/**
10			*
11			* exchange of one neighbor at a time by a common neighbor
12			* @author lappe
13			*/
14
15			static String user = "lappe" ; // change user name!!
16			static MySQLConnection conn;
17
18
19			public static void main(String[] args) {
20
21			if (args.length<2){
22			System.err.println("The graph_id and residue-nr. needs to be given .... i.e. 9 28");
23			System.exit(1);
24			}
25			int graphid = Integer.parseInt( args[0]);
26			int resnr = Integer.parseInt( args[1]);
27			int n1=0, n2=0, ni=0, nj=0, j_num=0, lastNum=0, i, j;
28			conn = new MySQLConnection("white",user,"nieve","pdb_reps_graph_4_2_a");
29			String sql, j_res;
30			Statement stmt, jst;
31			ResultSet rsst, jrs;
32
33			try {
34			System.out.println("getting direct neighborhood ... ");
35			stmt = conn.createStatement();
36			stmt.executeUpdate("drop table if exists temp_shell;");
37			stmt.close();
38
39			stmt = conn.createStatement();
40			stmt.executeUpdate("create table temp_shell as select i_num, i_res, j_num, j_res, j_sstype, 1 as shell from single_model_edge where graph_id="+graphid+" and i_num="+resnr+";");
41			stmt.close();
42
43			System.out.println("building the 2nd shell");
44			sql = "select j_num, j_res, j_sstype from temp_shell where shell=1;";
45			stmt = conn.createStatement();
46			rsst = stmt.executeQuery(sql);
47			while (rsst.next()) {
48			n1++;
49			j_num = rsst.getInt(1);
50			System.out.println(n1+":"+j_num);
51			jst = conn.createStatement();
52			sql = "insert into temp_shell select i_num, i_res, j_num, j_res, j_sstype, 2 as shell from single_model_edge where graph_id="+graphid+" and i_num="+j_num+";";
53			// System.out.println(">"+sql);
54			jst.executeUpdate( sql);
55			jst.close();
56			} // end while
57			rsst.close();
58			stmt.close();
59
60			System.out.println("geting the entire 2st and 2nd shell");
61			sql = "select j_num, j_res, j_sstype, min(shell) as shell, count(*) as cn from temp_shell group by j_num;";
62			stmt = conn.createStatement();
63			rsst = stmt.executeQuery(sql);
64			// counting shell2
65			n2=0;
66			while (rsst.next()) {
67			if ( rsst.getInt( 4)==2) n2++;
68			System.out.println(n2+":"+rsst.getInt( 1)+"\t"+rsst.getString( 2)+"\t"+rsst.getString( 3)+"\t"+rsst.getInt( 4)+"\t"+rsst.getInt( 5));
69			} // end while
70			System.out.println("SIZE 1st shell "+n1);
71			System.out.println("SIZE 2nd shell "+n2);
72
73			for (i=0; i<=n1; i++) { // 1st loop through all direct contacts
74			System.out.print(i+" - ");
75			for (j=1; j<=n2; j++) { // 2nd loop through all indirect contacts
76			System.out.print(j+":");
77
78			// if j_num == resnr -> then x
79			/*
80			lastNum=0;
81			nj = 0;
82			rsst.beforeFirst();
83			while (rsst.next()) {
84			nj++;
85			j_num = rsst.getInt( 1);
86			j_res = rsst.getString(2);
87			if (nj!=i) { // this is the neighbor 2 B dropped
88			if (lastNum<resnr && resnr<j_num) {
89			System.out.print("%"+nj+"x");
90			}
91			System.out.print("%"+j_res);
92			}
93			lastNum = j_num;
94			} // end while
95			*/
96
97
98			} // close for loop 2 (j)
99			System.out.println(".");
100			} // next loop 1 (i)
101			rsst.close();
102			stmt.close();
103
104			// Summarize
105
106
107
108			} catch (SQLException e) {
109			e.printStackTrace();
110			System.err.println("SQLException: " + e.getMessage());
111			System.err.println("SQLState: " + e.getSQLState());
112			} // end try/catch
113			System.out.println("fin.");
114			}
115
116
117
118			}