--- /dev/null
+// $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 java.util.Map.Entry;
+import java.util.SortedSet;
+
+import org.forester.evoinference.matrix.distance.BasicSymmetricalDistanceMatrix;
+import org.forester.phylogeny.Phylogeny;
+import org.forester.phylogeny.PhylogenyNode;
+import org.forester.util.ForesterUtil;
+
+public final class CopyOfNeighborJoiningR {
+
+ private final static DecimalFormat DF = new DecimalFormat( "0.00000" );
+ private BasicSymmetricalDistanceMatrix _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 S _s;
+ private double _d_min; //TODO remove me
+
+ private CopyOfNeighborJoiningR() {
+ _verbose = false;
+ _df = null;
+ }
+
+ private CopyOfNeighborJoiningR( 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 BasicSymmetricalDistanceMatrix distance ) {
+ reset( distance );
+ final Phylogeny phylogeny = new Phylogeny();
+ while ( _n > 2 ) {
+ System.out.println( "N=" + _n );
+ System.out.println();
+ // Calculates the minimal distance.
+ // If more than one minimal distances, always the first found is used
+ final double m = updateM();
+ final int otu1 = _min_i;
+ final int otu2 = _min_j;
+ System.out.println( _min_i + " " + _min_j + " => " + DF.format( m ) + " (" + DF.format( _d_min ) + ")" );
+ // It is a condition that otu1 < otu2.
+ System.out.println( "mapped 1 " + _mappings[ otu1 ] );
+ System.out.println( "mapped 2 " + _mappings[ otu2 ] );
+ final PhylogenyNode node = new PhylogenyNode();
+ final double d = getDvalue( otu1, 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, node );
+ printProgress( _mappings[ otu1 ], _mappings[ otu2 ], node );
+ }
+ System.out.println( "otu1=" + otu1 );
+ System.out.println( "otu2=" + otu2 );
+ calculateDistancesFromNewNode( otu1, otu2, d );
+ _external_nodes[ _mappings[ otu1 ] ] = node;
+ updateMappings( otu2 );
+ --_n;
+ System.out.println( "" );
+ System.out.println( "----------------------------------------------------------------------------------" );
+ System.out.println( "" );
+ }
+ final double d = getDvalue( 0, 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, root );
+ }
+ phylogeny.setRoot( root );
+ phylogeny.setRooted( false );
+ return phylogeny;
+ }
+
+ public final List<Phylogeny> execute( final List<BasicSymmetricalDistanceMatrix> distances_list ) {
+ final List<Phylogeny> pl = new ArrayList<Phylogeny>();
+ for( final BasicSymmetricalDistanceMatrix distances : distances_list ) {
+ pl.add( execute( distances ) );
+ }
+ return pl;
+ }
+
+ private final void calculateDistancesFromNewNode( final int otu1, final int otu2, final double d ) {
+ System.out.print( "new D values: " );
+ for( int j = 0; j < _n; ++j ) {
+ if ( ( j == otu1 ) || ( j == otu2 ) ) {
+ continue;
+ }
+ updateDvalue( otu1, otu2, j, d );
+ }
+ System.out.println();
+ }
+
+ private final void updateDvalue( final int otu1, final int otu2, final int j, final double d ) {
+ final double new_d = ( getDvalue( otu1, j ) + getDvalue( j, otu2 ) - d ) / 2;
+ System.out.print( DF.format( new_d ) + " " );
+ System.out.println( "going to remove: " + getDvalue( otu1, j ) + ", " + _mappings[ otu1 ] + ", "
+ + _mappings[ j ] );
+ _s.removePairing( getDvalue( otu1, j ), _mappings[ otu1 ], _mappings[ j ] );
+ System.out.println( "going to remove: " + getDvalue( j, otu2 ) + ", " + _mappings[ otu2 ] + ", "
+ + _mappings[ j ] );
+ _s.removePairing( getDvalue( j, otu2 ), _mappings[ otu2 ], _mappings[ j ] );
+ _s.addPairing( new_d, otu1, _mappings[ j ] );
+ setDvalue( otu1, j, new_d );
+ }
+
+ private void setDvalue( final int i, final int j, final double d ) {
+ if ( i < j ) {
+ _d_values[ _mappings[ i ] ][ _mappings[ j ] ] = d;
+ }
+ _d_values[ _mappings[ j ] ][ _mappings[ i ] ] = d;
+ }
+
+ private double getDvalue( final int i, final int j ) {
+ if ( i < j ) {
+ return _d_values[ _mappings[ i ] ][ _mappings[ j ] ];
+ }
+ return _d_values[ _mappings[ j ] ][ _mappings[ i ] ];
+ }
+
+ private double getDvalueUnmapped( final int i, final int j ) {
+ if ( i < j ) {
+ return _d_values[ i ][ j ];
+ }
+ return _d_values[ j ][ i ];
+ }
+
+ private final void calculateNetDivergences() {
+ for( int i = 0; i < _n; ++i ) {
+ _r[ i ] = calculateNetDivergence( i );
+ }
+ }
+
+ private double calculateNetDivergence( final int i ) {
+ double d = 0;
+ for( int n = 0; n < _n; ++n ) {
+ if ( i != n ) {
+ d += getDvalue( n, i );
+ }
+ }
+ return 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, final PhylogenyNode node ) {
+ System.out.println( "Node " + printProgressNodeToString( getExternalPhylogenyNode( otu1 ) ) + " joins "
+ + ( printProgressNodeToString( getExternalPhylogenyNode( otu2 ) ) ) + " [resulting in node "
+ + ( printProgressNodeToString( node ) ) + "]" );
+ }
+
+ 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 BasicSymmetricalDistanceMatrix distances ) {
+ _n = distances.getSize();
+ _d = distances;
+ _r = new double[ _n ];
+ _mappings = new int[ _n ];
+ _d_values = _d.getValues();
+ _s = new S();
+ _s.initialize( distances );
+ initExternalNodes();
+ System.out.println();
+ printM();
+ System.out.println( "----------------------------------------------------------------------------------" );
+ System.out.println();
+ System.out.println();
+ }
+
+ final private void printM() {
+ for( int j = 0; j < _d_values.length; ++j ) {
+ System.out.print( _external_nodes[ j ] );
+ System.out.print( "\t\t" );
+ for( int i = 0; i < _d_values[ j ].length; ++i ) {
+ System.out.print( DF.format( _d_values[ i ][ j ] ) );
+ System.out.print( " " );
+ }
+ System.out.println();
+ }
+ for( int j = 0; j < _n; ++j ) {
+ System.out.print( getExternalPhylogenyNode( j ) );
+ System.out.print( "\t\t" );
+ for( int i = 0; i < _n; ++i ) {
+ System.out.print( DF.format( _d_values[ _mappings[ i ] ][ _mappings[ j ] ] ) );
+ System.out.print( " " );
+ }
+ System.out.print( "\t\t" );
+ for( final Entry<Integer, SortedSet<Integer>> entry : _s.getSentrySet( _mappings[ j ] ) ) {
+ System.out.print( DF.format( ( double ) entry.getKey() / S.FACTOR ) + "=" );
+ boolean first = true;
+ for( final int v : entry.getValue() ) {
+ if ( !first ) {
+ System.out.print( "," );
+ }
+ first = false;
+ System.out.print( v );
+ }
+ System.out.print( " " );
+ }
+ System.out.println();
+ }
+ }
+
+ private final double updateM() {
+ calculateNetDivergences();
+ Double min = Double.MAX_VALUE;
+ _min_i = -1;
+ _min_j = -1;
+ final int n_minus_2 = _n - 2;
+ printM();
+ for( int j = 1; j < _n; ++j ) {
+ final double r_j = _r[ j ];
+ final int m_j = _mappings[ j ];
+ for( final Entry<Integer, SortedSet<Integer>> entry : _s.getSentrySet( m_j ) ) {
+ for( final int sorted_i : entry.getValue() ) {
+ System.out.print( sorted_i + " " );
+ System.out.print( "(" + DF.format( getDvalueUnmapped( sorted_i, m_j ) ) + ") " );
+ final double m = getDvalue( sorted_i, j ) - ( ( _r[ sorted_i ] + r_j ) / n_minus_2 );
+ if ( ( m < min ) && ( sorted_i != j ) ) {
+ _d_min = getDvalueUnmapped( sorted_i, m_j );
+ min = m;
+ _min_i = sorted_i;
+ _min_j = j;
+ }
+ }
+ }
+ System.out.println();
+ /*
+ for( int i = 0; i < j; ++i ) {
+ final double m = getDvalue( i, j ) - ( ( _r[ i ] + r_j ) / n_minus_2 );
+ if ( m < min ) {
+ min = m;
+ _d_min = getDvalue( i, j );
+ _min_i = i;
+ _min_j = j;
+ }
+ }*/
+ }
+ System.out.println();
+ return min;
+ }
+
+ // 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 CopyOfNeighborJoiningR createInstance() {
+ return new CopyOfNeighborJoiningR();
+ }
+
+ public final static CopyOfNeighborJoiningR createInstance( final boolean verbose,
+ final int maximum_fraction_digits_for_distances ) {
+ return new CopyOfNeighborJoiningR( verbose, maximum_fraction_digits_for_distances );
+ }
+}
final int otu2 = _min_j;
System.out.println( _min_i + " " + _min_j + " => " + DF.format( m ) + " (" + DF.format( _d_min ) + ")" );
// It is a condition that otu1 < otu2.
+ System.out.println( "mapped 1 " + _mappings[ otu1 ] );
+ System.out.println( "mapped 2 " + _mappings[ otu2 ] );
final PhylogenyNode node = new PhylogenyNode();
- final double d = getDvalue( otu1, otu2 );
+ final double d = getDvalueUnmapped( 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 );
+ _external_nodes[ 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 ) ) );
+ _external_nodes[ otu1 ].setDistanceToParent( Double.parseDouble( _df.format( d1 ) ) );
getExternalPhylogenyNode( otu2 ).setDistanceToParent( Double.parseDouble( _df.format( d2 ) ) );
}
- node.addAsChild( getExternalPhylogenyNode( otu1 ) );
+ node.addAsChild( _external_nodes[ otu1 ] );
node.addAsChild( getExternalPhylogenyNode( otu2 ) );
if ( _verbose ) {
printProgress( otu1, otu2, node );
private final void calculateDistancesFromNewNode( final int otu1, final int otu2, final double d ) {
System.out.print( "new D values: " );
for( int j = 0; j < _n; ++j ) {
- if ( ( j == otu1 ) || ( j == otu2 ) ) {
+ if ( j == otu2 ) {
continue;
}
- updateDvalue( otu1, otu2, j, d );
+ if ( _mappings[ j ] > _mappings[ otu1 ] ) {
+ updateDvalue( otu1, otu2, j, d );
+ }
}
System.out.println();
}
private final void updateDvalue( final int otu1, final int otu2, final int j, final double d ) {
- final double new_d = ( getDvalue( otu1, j ) + getDvalue( j, otu2 ) - d ) / 2;
+ final double new_d = ( getDvalueUnmapped( otu1, _mappings[ j ] ) + getDvalue( j, otu2 ) - d ) / 2;
System.out.print( DF.format( new_d ) + " " );
- System.out.println( "going to remove: " + getDvalue( otu1, j ) + ", " + otu1 + ", " + _mappings[ j ] );
- _s.removePairing( getDvalue( otu1, j ), _mappings[ otu1 ], _mappings[ j ] );
- System.out.println( "going to remove: " + getDvalue( j, otu2 ) + ", " + otu2 + ", " + _mappings[ j ] );
+ System.out.println( "going to remove: " + getDvalueUnmapped( otu1, _mappings[ j ] ) + ", " + otu1 + ", "
+ + _mappings[ j ] );
+ _s.removePairing( getDvalueUnmapped( otu1, _mappings[ j ] ), otu1, _mappings[ j ] );
+ System.out.println( "going to remove: " + getDvalue( j, otu2 ) + ", " + _mappings[ otu2 ] + ", "
+ + _mappings[ j ] );
_s.removePairing( getDvalue( j, otu2 ), _mappings[ otu2 ], _mappings[ j ] );
_s.addPairing( new_d, otu1, _mappings[ j ] );
- setDvalue( otu1, j, new_d );
+ setDvalueU( otu1, j, new_d );
}
- private void setDvalue( final int i, final int j, final double d ) {
- if ( i < j ) {
- _d_values[ _mappings[ i ] ][ _mappings[ j ] ] = d;
+ private void setDvalueU( final int i, final int j, final double d ) {
+ if ( i < _mappings[ j ] ) {
+ _d_values[ i ][ _mappings[ j ] ] = d;
}
- _d_values[ _mappings[ j ] ][ _mappings[ i ] ] = d;
+ _d_values[ j ][ _mappings[ i ] ] = d;
}
private double getDvalue( final int i, final int j ) {
}
private final void printProgress( final int otu1, final int otu2, final PhylogenyNode node ) {
- System.out.println( "Node " + printProgressNodeToString( getExternalPhylogenyNode( otu1 ) ) + " joins "
+ System.out.println( "Node " + printProgressNodeToString( _external_nodes[ otu1 ] ) + " joins "
+ ( printProgressNodeToString( getExternalPhylogenyNode( otu2 ) ) ) + " [resulting in node "
+ ( printProgressNodeToString( node ) ) + "]" );
}
}
final private void printM() {
+ for( int j = 0; j < _d_values.length; ++j ) {
+ System.out.print( _external_nodes[ j ] );
+ System.out.print( "\t\t" );
+ for( int i = 0; i < _d_values[ j ].length; ++i ) {
+ System.out.print( DF.format( _d_values[ i ][ j ] ) );
+ System.out.print( " " );
+ }
+ System.out.println();
+ }
for( int j = 0; j < _n; ++j ) {
System.out.print( getExternalPhylogenyNode( j ) );
System.out.print( "\t\t" );
private final double updateM() {
calculateNetDivergences();
- Double min = Double.MAX_VALUE;
+ Double min_m = 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 ];
+ System.out.print( "j=" + j + " mj=" + m_j + ": " );
for( final Entry<Integer, SortedSet<Integer>> entry : _s.getSentrySet( m_j ) ) {
for( final int sorted_i : entry.getValue() ) {
System.out.print( sorted_i + " " );
System.out.print( "(" + DF.format( getDvalueUnmapped( sorted_i, m_j ) ) + ") " );
- final double m = getDvalue( sorted_i, j ) - ( ( _r[ sorted_i ] + r_j ) / n_minus_2 );
- if ( ( m < min ) && ( sorted_i != j ) ) {
+ final double m = getDvalueUnmapped( sorted_i, m_j ) - ( ( _r[ sorted_i ] + r_j ) / n_minus_2 );
+ if ( ( m < min_m ) && ( sorted_i != j ) ) {
_d_min = getDvalueUnmapped( sorted_i, m_j );
- min = m;
+ min_m = m;
_min_i = sorted_i;
_min_j = j;
}
}*/
}
System.out.println();
- return min;
+ return min_m;
}
// 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 ) {
+ System.out.print( _mappings[ i ] );
_mappings[ i ] = _mappings[ i + 1 ];
+ System.out.println( "----->" + _mappings[ i ] );
+ }
+ for( int i = 0; i < _mappings.length; ++i ) {
+ System.out.println( i + "-->" + _mappings[ i ] );
}
}