// $Id: // FORESTER -- software libraries and applications // for evolutionary biology research and applications. // // Copyright (C) 2014 Christian M. Zmasek // All rights reserved // // This library is free software; you can redistribute it and/or // modify it under the terms of the GNU Lesser General Public // License as published by the Free Software Foundation; either // version 2.1 of the License, or (at your option) any later version. // // This library 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 // Lesser General Public License for more details. // // You should have received a copy of the GNU Lesser General Public // License along with this library; if not, write to the Free Software // Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA // // Contact: phylosoft @ gmail . com // WWW: https://sites.google.com/site/cmzmasek/home/software/forester package org.forester.evoinference.distance; import java.math.RoundingMode; import java.text.DecimalFormat; import java.util.ArrayList; import java.util.List; import org.forester.evoinference.matrix.distance.DistanceMatrix; import org.forester.phylogeny.Phylogeny; import org.forester.phylogeny.PhylogenyNode; import org.forester.util.ForesterUtil; public final class NeighborJoining { private final static DecimalFormat DF = new DecimalFormat( "0.00000" ); private DistanceMatrix _d; private double[][] _d_values; private final DecimalFormat _df; private PhylogenyNode[] _external_nodes; private int[] _mappings; private int _n; private double[] _r; private final boolean _verbose; private int _min_i; private int _min_j; private NeighborJoining() { _verbose = false; _df = null; } private NeighborJoining( final boolean verbose, final int maximum_fraction_digits_for_distances ) { if ( ( maximum_fraction_digits_for_distances < 1 ) || ( maximum_fraction_digits_for_distances > 9 ) ) { throw new IllegalArgumentException( "maximum fraction digits for distances is out of range: " + maximum_fraction_digits_for_distances ); } _verbose = verbose; _df = new DecimalFormat(); _df.setMaximumFractionDigits( maximum_fraction_digits_for_distances ); _df.setRoundingMode( RoundingMode.HALF_UP ); } public final Phylogeny execute( final DistanceMatrix distance ) { reset( distance ); final Phylogeny phylogeny = new Phylogeny(); while ( _n > 2 ) { // Calculates the minimal distance. // If more than one minimal distances, always the first found is used updateM(); final int otu1 = _min_i; final int otu2 = _min_j; //System.out.println( _min_i + " " + _min_j ); // It is a condition that otu1 < otu2. final PhylogenyNode node = new PhylogenyNode(); final double d = _d_values[ _mappings[ otu1 ] ][ _mappings[ otu2 ] ]; final double d1 = ( d / 2 ) + ( ( _r[ otu1 ] - _r[ otu2 ] ) / ( 2 * ( _n - 2 ) ) ); final double d2 = d - d1; if ( _df == null ) { getExternalPhylogenyNode( otu1 ).setDistanceToParent( d1 ); getExternalPhylogenyNode( otu2 ).setDistanceToParent( d2 ); } else { // yes, yes, slow but only grows with n (and not n^2 or worse)... getExternalPhylogenyNode( otu1 ).setDistanceToParent( Double.parseDouble( _df.format( d1 ) ) ); getExternalPhylogenyNode( otu2 ).setDistanceToParent( Double.parseDouble( _df.format( d2 ) ) ); } node.addAsChild( getExternalPhylogenyNode( otu1 ) ); node.addAsChild( getExternalPhylogenyNode( otu2 ) ); if ( _verbose ) { printProgress( otu1, otu2 ); } calculateDistancesFromNewNode( otu1, otu2, d ); _external_nodes[ _mappings[ otu1 ] ] = node; updateMappings( otu2 ); --_n; } final double d = _d_values[ _mappings[ 0 ] ][ _mappings[ 1 ] ] / 2; if ( _df == null ) { getExternalPhylogenyNode( 0 ).setDistanceToParent( d ); getExternalPhylogenyNode( 1 ).setDistanceToParent( d ); } else { final double dd = Double.parseDouble( _df.format( d ) ); getExternalPhylogenyNode( 0 ).setDistanceToParent( dd ); getExternalPhylogenyNode( 1 ).setDistanceToParent( dd ); } final PhylogenyNode root = new PhylogenyNode(); root.addAsChild( getExternalPhylogenyNode( 0 ) ); root.addAsChild( getExternalPhylogenyNode( 1 ) ); if ( _verbose ) { printProgress( 0, 1 ); } phylogeny.setRoot( root ); phylogeny.setRooted( false ); return phylogeny; } public final List execute( final List distances_list ) { final List pl = new ArrayList(); for( final DistanceMatrix distances : distances_list ) { pl.add( execute( distances ) ); } return pl; } private final void calculateDistancesFromNewNode( final int otu1, final int otu2, final double d ) { final int m_otu1 = _mappings[ otu1 ]; final int m_otu2 = _mappings[ otu2 ]; for( int i = 0; i < _n; ++i ) { if ( ( i == otu1 ) || ( i == otu2 ) ) { continue; } final int m_i = _mappings[ i ]; if ( otu1 < i ) { if ( otu2 > i ) { _d_values[ m_otu1 ][ m_i ] = ( ( _d_values[ m_otu1 ][ m_i ] + _d_values[ m_i ][ m_otu2 ] ) - d ) / 2; //System.out.print( DF.format( _d_values[ m_otu1 ][ m_i ] ) ); } else { _d_values[ m_otu1 ][ m_i ] = ( ( _d_values[ m_otu1 ][ m_i ] + _d_values[ m_otu2 ][ m_i ] ) - d ) / 2; //System.out.print( DF.format( _d_values[ m_otu1 ][ m_i ] ) ); } } else { if ( otu2 > i ) { _d_values[ m_i ][ m_otu1 ] = ( ( _d_values[ m_i ][ m_otu1 ] + _d_values[ m_i ][ m_otu2 ] ) - d ) / 2; //System.out.print( DF.format( _d_values[ m_i ][ m_otu1 ] ) ); } else { _d_values[ m_i ][ m_otu1 ] = ( ( _d_values[ m_i ][ m_otu1 ] + _d_values[ m_otu2 ][ m_i ] ) - d ) / 2; // System.out.print( DF.format( _d_values[ m_otu1 ][ m_i ] ) ); } } //System.out.print( " " ); } } private final void calculateNetDivergences() { double d; for( int i = 0; i < _n; ++i ) { d = 0; final int m_i = _mappings[ i ]; for( int n = 0; n < _n; ++n ) { if ( i != n ) { if ( i > n ) { d += _d_values[ _mappings[ n ] ][ m_i ]; } else { d += _d_values[ m_i ][ _mappings[ n ] ]; } } } _r[ i ] = d; } } private final PhylogenyNode getExternalPhylogenyNode( final int i ) { return _external_nodes[ _mappings[ i ] ]; } private final void initExternalNodes() { _external_nodes = new PhylogenyNode[ _n ]; String id; for( int i = 0; i < _n; ++i ) { _external_nodes[ i ] = new PhylogenyNode(); id = _d.getIdentifier( i ); if ( id != null ) { _external_nodes[ i ].setName( id ); } else { _external_nodes[ i ].setName( Integer.toString( i ) ); } _mappings[ i ] = i; } } private final void printProgress( final int otu1, final int otu2 ) { System.out.println( "Node " + printProgressNodeToString( getExternalPhylogenyNode( otu1 ) ) + " joins " + ( printProgressNodeToString( getExternalPhylogenyNode( otu2 ) ) ) ); } private final String printProgressNodeToString( final PhylogenyNode n ) { if ( n.isExternal() ) { if ( ForesterUtil.isEmpty( n.getName() ) ) { return Long.toString( n.getId() ); } return n.getName(); } return n.getId() + " (" + ( ForesterUtil.isEmpty( n.getChildNode1().getName() ) ? n.getChildNode1().getId() : n.getChildNode1() .getName() ) + "+" + ( ForesterUtil.isEmpty( n.getChildNode2().getName() ) ? n.getChildNode2().getId() : n.getChildNode2() .getName() ) + ")"; } // only the values in the lower triangle are used. // !matrix values will be changed! private final void reset( final DistanceMatrix distances ) { _n = distances.getSize(); _d = distances; _r = new double[ _n ]; _mappings = new int[ _n ]; _d_values = _d.getValues(); initExternalNodes(); } private final void updateM() { calculateNetDivergences(); Double min = Double.MAX_VALUE; _min_i = -1; _min_j = -1; final int n_minus_2 = _n - 2; for( int j = 1; j < _n; ++j ) { final double r_j = _r[ j ]; final int m_j = _mappings[ j ]; for( int i = 0; i < j; ++i ) { final double m = _d_values[ _mappings[ i ] ][ m_j ] - ( ( _r[ i ] + r_j ) / n_minus_2 ); if ( m < min ) { min = m; _min_i = i; _min_j = j; } } } // for( int j = 1; j < _n; ++j ) { // final double r_j = _r[ j ]; // final int m_j = _mappings[ j ]; // for( int i = 0; i < j; ++i ) { // System.out.print( i ); // System.out.print( "->" ); // System.out.print( DF.format( _r[ i ] ) ); // System.out.print( " " ); // } // System.out.println(); // } } // otu2 will, in effect, be "deleted" from the matrix. private final void updateMappings( final int otu2 ) { for( int i = otu2; i < ( _mappings.length - 1 ); ++i ) { _mappings[ i ] = _mappings[ i + 1 ]; } } public final static NeighborJoining createInstance() { return new NeighborJoining(); } public final static NeighborJoining createInstance( final boolean verbose, final int maximum_fraction_digits_for_distances ) { return new NeighborJoining( verbose, maximum_fraction_digits_for_distances ); } }