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Open Source Chemistry Library
/*
* Copyright (c) 1997 - 2016
* Actelion Pharmaceuticals Ltd.
* Gewerbestrasse 16
* CH-4123 Allschwil, Switzerland
*
* All rights reserved.
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer.
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
* 3. Neither the name of the the copyright holder nor the
* names of its contributors may be used to endorse or promote products
* derived from this software without specific prior written permission.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
package com.actelion.research.util.datamodel;
import com.actelion.research.calc.Matrix;
import java.util.ArrayList;
import java.util.Collections;
import java.util.List;
/**
*
*
* ModelDataXY
* @author Modest von Korff
* @version 1.0
* Aug 4, 2011 MvK: Start implementation
*/
public class ModelXYIndex extends ModelXY {
// Index of the X row origin in the original file.
// Becomes important when rows in X and Y were removed.
public List liIndex;
public ModelXYIndex() {
}
public ModelXYIndex(Matrix x, Matrix y) {
super(x,y);
}
public ModelXYIndex(int rows, int colsX, int colsY) {
super(rows, colsX, colsY);
}
/**
* Deep copy constructor
* @param dataXY
*/
public ModelXYIndex(ModelXYIndex dataXY) {
super(dataXY);
liIndex = new ArrayList(dataXY.X.rows());
for (int index : dataXY.liIndex) {
liIndex.add(index);
}
}
public ModelXYIndex(ModelXY dataXY) {
super(dataXY);
}
/**
*
* @param indexStart inclusive
* @param indexEnd exclusive
* @return
*/
public ModelXYIndex sub(int indexStart, int indexEnd){
List liIndexRow = new ArrayList<>(indexEnd-indexStart);
for (int i = indexStart; i < indexEnd; i++) {
liIndexRow.add(i);
}
return sub(liIndexRow);
}
public ModelXYIndex sub(List liIndexRow){
ModelXYIndex modelDataXY = new ModelXYIndex();
modelDataXY.X = X.getSubMatrix(liIndexRow);
modelDataXY.Y = Y.getSubMatrix(liIndexRow);
modelDataXY.liIndex = new ArrayList<>(liIndexRow);
return modelDataXY;
}
/**
* Rows are copied from this into target.
* @param liIndexRow
* @param modelXYIndexTarget
*/
public void sub(List liIndexRow, ModelXYIndex modelXYIndexTarget){
if((modelXYIndexTarget.X.rows()!=liIndexRow.size()) || (modelXYIndexTarget.Y.rows()!=liIndexRow.size())) {
throw new RuntimeException("Wrong number of rows!");
}
for (int i = 0; i < liIndexRow.size(); i++) {
int index = liIndexRow.get(i);
double [] a = X.getRow(index);
modelXYIndexTarget.X.setRow(i, a);
double [] b = Y.getRow(index);
modelXYIndexTarget.Y.setRow(i, b);
}
}
public ModelXYIndex getVariableSelectionOnX(IntVec iv) {
int colsNew = iv.getBitsSet();
Matrix XNew = new Matrix(X.rows(), colsNew);
int n = iv.sizeBits();
int colNew = 0;
for (int i = 0; i < n; i++) {
if(iv.isBitSet(i)){
XNew.copyColumn(X, i, colNew++);
}
}
ModelXYIndex modelXYIndexSelectedCols = new ModelXYIndex();
modelXYIndexSelectedCols.X = XNew;
modelXYIndexSelectedCols.Y = new Matrix(Y);
if(liIndex!=null) {
modelXYIndexSelectedCols.liIndex = new ArrayList<>(X.rows());
for (int index : liIndex) {
modelXYIndexSelectedCols.liIndex.add(index);
}
}
return modelXYIndexSelectedCols;
}
@Override
public ModelXYIndex getDeepClone() {
return new ModelXYIndex(this);
}
/**
*
* @return Deep copy.
*/
public List getAsListWithIndex(){
int rows = X.rows();
List li = new ArrayList<>(rows);
for (int i = 0; i < rows; i++) {
XYIndex XY = new XYIndex(X.getRowCopy(i), Y.getRowCopy(i));
if(liIndex!=null){
XY.index = liIndex.get(i);
}
li.add(XY);
}
return li;
}
public ModelXYIndex getSortedByY(int colY){
List li = getAsListWithIndex();
Collections.sort(li, XY.getComparatorY(colY));
double [][] arrX = new double[li.size()][];
double [][] arrY = new double[li.size()][];
List liIndex = new ArrayList<>(li.size());
for (int i = 0; i < li.size(); i++) {
arrX[i]=li.get(i).x;
arrY[i]=li.get(i).y;
liIndex.add(li.get(i).index);
}
ModelXYIndex modelSorted = new ModelXYIndex();
modelSorted.X = new Matrix(arrX);
modelSorted.Y = new Matrix(arrY);
modelSorted.liIndex=liIndex;
return modelSorted;
}
}