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Open Source Chemistry Library
/*
* Copyright 2017 Idorsia Pharmaceuticals Ltd., Hegenheimermattweg 91, CH-4123 Allschwil, Switzerland
*
* This file is part of DataWarrior.
*
* DataWarrior is free software: you can redistribute it and/or modify it under the terms of the
* GNU General Public License as published by the Free Software Foundation, either version 3 of
* the License, or (at your option) any later version.
*
* DataWarrior is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY;
* without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
* See the GNU General Public License for more details.
* You should have received a copy of the GNU General Public License along with DataWarrior.
* If not, see http://www.gnu.org/licenses/.
*
* @author Thomas Sander
*/
package com.actelion.research.calc;
import com.actelion.research.util.DoubleFormat;
import java.io.BufferedReader;
import java.io.BufferedWriter;
import java.io.IOException;
import java.util.Random;
public class VectorSOM extends SelfOrganizedMap {
private double[] mMeanParameter,mStandardDeviation;
private int mParameterCount;
public VectorSOM() {}
// constructor to be used if SOM interna are read from a SOM file with read()
public VectorSOM(int nx, int ny, int mode) {
super(nx, ny, mode);
}
public void setParameterCount(int parameterCount) {
// needs to be called before organize()
mParameterCount = parameterCount;
}
@Override
protected void initializeNormalization() {
// must be overridden if input vectors aren't double arrays
startProgress("Calculating mean parameters...", 0, mController.getInputVectorCount());
// don't normalize input vectors if they are random vectors
if (mController.getInputVectorCount() == -1) {
mMeanParameter = new double[mParameterCount];
mStandardDeviation = new double[mParameterCount];
for (int i=0; i");
writer.newLine();
writer.write("");
writer.newLine();
}
@Override
public void read(BufferedReader reader) throws Exception {
super.read(reader);
String theLine = reader.readLine();
boolean error = !theLine.startsWith("
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