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import tools.MySQLConnection; |
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import java.sql.SQLException; |
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import java.sql.Statement; |
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import java.sql.ResultSet; |
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public class listInfoGain { |
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/** |
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* "Hello World" for entropy calculations given a nbhoodstring |
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* |
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* @author lappe |
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*/ |
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static String user = "lappe" ; // change user name!! |
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static MySQLConnection conn; |
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static double orgFreq, lastFreq, orgAUC, lastAUC; |
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static int orgRank, lastRank; |
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public static void main(String[] args) { |
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double entropy = 0.0, newentropy=0.0, gain; |
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String nbhood = "", front, middle, tail, newhood="", central ="I"; |
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if (args.length<2){ |
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System.err.println("The starting neighborhood-string and central residue type needs to be given .... i.e. %K%D%L%I%x%D%C% I"); |
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System.exit(1); |
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} |
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nbhood = args[0]; |
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central = args[1]; |
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conn = new MySQLConnection("white",user,"nieve","pdb_reps_graph_4_2"); |
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int l = (int)((nbhood.length()-1)/2); |
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int N = 1; |
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System.out.println("ListInfoGain"); |
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System.out.print("0 - (%x%)("+l+") "); |
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entropy = getEntropy( "%x%", central); |
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System.out.print( entropy + " bits."); |
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// System.out.println("Symbols in nbhood :"+l); |
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orgFreq = lastFreq; |
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orgAUC = lastAUC; |
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orgRank = lastRank; |
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System.out.println("central Residue "+central+ " rank#"+lastRank+" p="+lastFreq+" AUC="+String.format("%.5f",lastAUC)); |
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// System.out.println("Symbols in nbhood :"+l); |
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for (int i = 0; i<l; i++) { |
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front = nbhood.substring(0,i*2); |
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middle = nbhood.substring(i*2, i*2+2); |
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tail = nbhood.substring(i*2+2); |
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System.out.print((i+1)+" - "+front+"("+middle+")"+tail); |
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if (middle.equals("%x")) { // switch from N to C of X |
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N = -1; |
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newhood = "%x%"; |
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} else { |
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if (N < 0) // we are in the C-terminal section |
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newhood = "%x"+middle+"%"; |
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else // N terminal (before X) |
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newhood = middle+"%x%"; |
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} // end if |
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System.out.print( " -> " + newhood); |
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newentropy = getEntropy( newhood, central); |
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gain = newentropy-entropy; |
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System.out.print( " : "+String.format("%.5f", newentropy) +"bits ("+String.format("%.5f", gain)+")"); |
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System.out.print( " : #"+lastRank +" ("+(lastRank-orgRank)+")"); |
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System.out.print( " : "+String.format("%.5f", lastFreq) +"("+String.format("%.5f", (lastFreq-orgFreq))+")"); |
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System.out.print( " : "+String.format("%.5f", lastAUC) +"("+String.format("%.5f", (lastAUC-orgAUC))+")"); |
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System.out.println( "."); |
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} // next symbol in nbhood; |
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System.out.println("fin."); |
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} |
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public static double getEntropy( String nbs, String centRes) { |
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int total = 0, num; |
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String sql, res; |
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Statement stmt; |
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ResultSet rsst; |
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double p, psum=0.0, logp, plogp, plogpsum=0.0; |
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try { |
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sql = "select count(*) from single_model_node where n like '"+nbs+"';"; |
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// System.out.println( sql); |
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stmt = conn.createStatement(); |
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rsst = stmt.executeQuery(sql); |
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if (rsst.next()) total = rsst.getInt( 1); |
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rsst.close(); |
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stmt.close(); |
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sql = "select res, count(*) as t, count(*)/"+total+" as p from single_model_node where n like '"+nbs+"' group by res order by p DESC;"; |
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stmt = conn.createStatement(); |
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rsst = stmt.executeQuery(sql); |
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// System.out.println("rank : res : total t : fraction p : log2(p) : -p*log2(p)"); |
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int rank = 0; |
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boolean seenCentRes = false; |
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lastAUC= 0; |
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while (rsst.next()) { |
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rank ++; |
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res = rsst.getString(1); // 1st column -- res |
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num = rsst.getInt(2); // 2nd column -- num |
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p = rsst.getDouble(3); // 3rd: fraction p |
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// System.out.print(rank+ " : " + res+" : "+num+ " : " + p); |
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logp = Math.log(p)/Math.log(2.0); // to basis 2 for info in bits |
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// System.out.print(" : " + logp); |
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plogp = -1.0 * p * logp; |
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// System.out.print(" : " + plogp); |
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plogpsum += plogp; |
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psum += p; |
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if (res.equals(centRes)) { |
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// System.out.print(" <==" + centRes); |
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seenCentRes = true; |
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lastFreq = p; |
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lastRank = rank; |
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} |
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if (seenCentRes) lastAUC += p; |
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// System.out.println(""); |
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} |
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// System.out.println("Sum :"+total+" : "+psum+" : "+plogpsum); |
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rsst.close(); |
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stmt.close(); |
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} catch (SQLException e) { |
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e.printStackTrace(); |
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System.err.println("SQLException: " + e.getMessage()); |
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System.err.println("SQLState: " + e.getSQLState()); |
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} |
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return plogpsum; |
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} // end of getEntropy |
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} |
