"rio" work
[jalview.git] / forester / java / src / org / forester / application / rio.java
index ad0c33a..13b2ade 100644 (file)
 package org.forester.application;
 
 import java.io.File;
-import java.io.FileWriter;
 import java.io.IOException;
-import java.io.PrintWriter;
 import java.util.ArrayList;
 import java.util.List;
 
 import org.forester.datastructures.IntMatrix;
 import org.forester.io.parsers.phyloxml.PhyloXmlParser;
 import org.forester.phylogeny.Phylogeny;
+import org.forester.phylogeny.PhylogenyMethods;
 import org.forester.phylogeny.factories.ParserBasedPhylogenyFactory;
 import org.forester.phylogeny.factories.PhylogenyFactory;
-import org.forester.sdi.RIO;
-import org.forester.sdi.RIOException;
+import org.forester.rio.RIO;
+import org.forester.rio.RIO.REROOTING;
+import org.forester.rio.RIOException;
 import org.forester.sdi.SDIException;
+import org.forester.sdi.SDIutil.ALGORITHM;
+import org.forester.util.BasicDescriptiveStatistics;
 import org.forester.util.CommandLineArguments;
 import org.forester.util.EasyWriter;
 import org.forester.util.ForesterUtil;
 
 public class rio {
 
-    final static private String PRG_NAME              = "rio";
-    final static private String PRG_VERSION           = "3.00 beta 3";
-    final static private String PRG_DATE              = "2012.12.05";
-    final static private String E_MAIL                = "czmasek@burnham.org";
-    final static private String WWW                   = "www.phylosoft.org/forester/";
-    final static private String HELP_OPTION_1         = "help";
-    final static private String HELP_OPTION_2         = "h";
-    final static private String QUERY_OPTION          = "q";
-    final static private String SORT_OPTION           = "s";
-    final static private String OUTPUT_ULTRA_P_OPTION = "u";
-    final static private String CUTOFF_ULTRA_P_OPTION = "cu";
-    final static private String CUTOFF_ORTHO_OPTION   = "co";
-    final static private String TABLE_OUTPUT_OPTION   = "t";
+    final static private String PRG_NAME      = "rio";
+    final static private String PRG_VERSION   = "4.000 beta 3";
+    final static private String PRG_DATE      = "2012.12.17";
+    final static private String E_MAIL        = "czmasek@burnham.org";
+    final static private String WWW           = "www.phylosoft.org/forester/";
+    final static private String HELP_OPTION_1 = "help";
+    final static private String HELP_OPTION_2 = "h";
+    final static private String USE_SDIR      = "b";
 
     public static void main( final String[] args ) {
         ForesterUtil.printProgramInformation( PRG_NAME,
@@ -80,98 +77,57 @@ public class rio {
         if ( cla.isOptionSet( HELP_OPTION_1 ) || cla.isOptionSet( HELP_OPTION_2 ) || ( args.length == 0 ) ) {
             printHelp();
         }
-        if ( ( args.length < 2 ) || ( args.length > 10 ) ) {
+        if ( ( args.length < 3 ) || ( args.length > 8 ) ) {
             System.out.println();
             System.out.println( "[" + PRG_NAME + "] incorrect number of arguments" );
             System.out.println();
             printHelp();
         }
         final List<String> allowed_options = new ArrayList<String>();
-        allowed_options.add( QUERY_OPTION );
-        allowed_options.add( SORT_OPTION );
-        allowed_options.add( CUTOFF_ULTRA_P_OPTION );
-        allowed_options.add( CUTOFF_ORTHO_OPTION );
-        allowed_options.add( TABLE_OUTPUT_OPTION );
-        allowed_options.add( OUTPUT_ULTRA_P_OPTION );
+        allowed_options.add( USE_SDIR );
         final String dissallowed_options = cla.validateAllowedOptionsAsString( allowed_options );
         if ( dissallowed_options.length() > 0 ) {
             ForesterUtil.fatalError( PRG_NAME, "unknown option(s): " + dissallowed_options );
         }
         final File gene_trees_file = cla.getFile( 0 );
         final File species_tree_file = cla.getFile( 1 );
-        File outfile = null;
-        if ( cla.getNumberOfNames() > 2 ) {
-            outfile = cla.getFile( 2 );
+        final File orthology_outtable = cla.getFile( 2 );
+        final File logfile;
+        if ( cla.getNumberOfNames() > 3 ) {
+            logfile = cla.getFile( 3 );
+            if ( logfile.exists() ) {
+                ForesterUtil.fatalError( PRG_NAME, "\"" + logfile + "\" already exists" );
+            }
+        }
+        else {
+            logfile = null;
         }
+        final String outgroup = "";
         ForesterUtil.fatalErrorIfFileNotReadable( PRG_NAME, gene_trees_file );
         ForesterUtil.fatalErrorIfFileNotReadable( PRG_NAME, species_tree_file );
-        if ( ( outfile != null ) && outfile.exists() ) {
-            ForesterUtil.fatalError( PRG_NAME, "[" + outfile + "] already exists" );
-        }
-        String query = null;
-        if ( cla.isOptionSet( QUERY_OPTION ) ) {
-            query = cla.getOptionValue( QUERY_OPTION );
+        if ( orthology_outtable.exists() ) {
+            ForesterUtil.fatalError( PRG_NAME, "\"" + orthology_outtable + "\" already exists" );
         }
-        File table_outfile = null;
-        if ( cla.isOptionSet( TABLE_OUTPUT_OPTION ) ) {
-            table_outfile = new File( cla.getOptionValue( TABLE_OUTPUT_OPTION ) );
-            if ( table_outfile.exists() ) {
-                ForesterUtil.fatalError( PRG_NAME, "[" + table_outfile + "] already exists" );
+        boolean sdir = false;
+        if ( cla.isOptionSet( USE_SDIR ) ) {
+            sdir = true;
+            if ( logfile != null ) {
+                ForesterUtil.fatalError( PRG_NAME, "logfile output only for GSDIR algorithm" );
             }
         }
-        boolean output_ultraparalogs = false;
-        if ( cla.isOptionSet( OUTPUT_ULTRA_P_OPTION ) ) {
-            output_ultraparalogs = true;
-        }
-        double cutoff_for_orthologs = 50;
-        double cutoff_for_ultra_paralogs = 50;
-        int sort = 1;
-        try {
-            if ( cla.isOptionSet( CUTOFF_ORTHO_OPTION ) ) {
-                cutoff_for_orthologs = cla.getOptionValueAsDouble( CUTOFF_ORTHO_OPTION );
-                if ( query == null ) {
-                    ForesterUtil.fatalError( PRG_NAME, "missing query name, type \"rio -h\" for help" );
-                }
-                if ( outfile == null ) {
-                    ForesterUtil.fatalError( PRG_NAME, "missing outfile, type \"rio -h\" for help" );
-                }
-            }
-            if ( cla.isOptionSet( CUTOFF_ULTRA_P_OPTION ) ) {
-                cutoff_for_ultra_paralogs = cla.getOptionValueAsDouble( CUTOFF_ULTRA_P_OPTION );
-                output_ultraparalogs = true;
-            }
-            if ( cla.isOptionSet( SORT_OPTION ) ) {
-                sort = cla.getOptionValueAsInt( SORT_OPTION );
-            }
-        }
-        catch ( final Exception e ) {
-            ForesterUtil.fatalError( PRG_NAME, "error in command line: " + e.getLocalizedMessage() );
-        }
-        if ( ( cutoff_for_orthologs < 0 ) || ( cutoff_for_ultra_paralogs < 0 ) || ( sort < 0 ) || ( sort > 2 ) ) {
-            ForesterUtil.fatalError( PRG_NAME, "numberical option out of range, type \"rio -h\" for help" );
-        }
-        if ( ( ( query == null ) && ( ( outfile != null ) || output_ultraparalogs ) ) ) {
-            ForesterUtil.fatalError( PRG_NAME, "missing query name, type \"rio -h\" for help" );
-        }
-        if ( ( output_ultraparalogs && ( outfile == null ) ) || ( ( query != null ) && ( outfile == null ) ) ) {
-            ForesterUtil.fatalError( PRG_NAME, "missing outfile, type \"rio -h\" for help" );
-        }
         long time = 0;
         System.out.println( "Gene trees                : " + gene_trees_file );
         System.out.println( "Species tree              : " + species_tree_file );
-        if ( query != null ) {
-            System.out.println( "Query                     : " + query );
-            System.out.println( "Outfile                   : " + outfile );
-            System.out.println( "Sort                      : " + sort );
-            System.out.println( "Cutoff for  orthologs     : " + cutoff_for_orthologs );
-            if ( output_ultraparalogs ) {
-                System.out.println( "Cutoff for ultra paralogs : " + cutoff_for_ultra_paralogs );
+        System.out.println( "All vs all orthology table: " + orthology_outtable );
+        if ( !sdir ) {
+            if ( logfile != null ) {
+                System.out.println( "Logfile                   : " + logfile );
             }
+            System.out.println( "Non binary species tree   : allowed (GSDIR algorithm)" );
         }
-        if ( table_outfile != null ) {
-            System.out.println( "Table output              : " + table_outfile );
+        else {
+            System.out.println( "Non binary species tree   : disallowed (SDIR algorithm)" );
         }
-        System.out.println();
         time = System.currentTimeMillis();
         Phylogeny species_tree = null;
         try {
@@ -185,34 +141,55 @@ public class rio {
         if ( !species_tree.isRooted() ) {
             ForesterUtil.fatalError( PRG_NAME, "species tree is not rooted" );
         }
-        if ( !species_tree.isCompletelyBinary() ) {
-            ForesterUtil.fatalError( PRG_NAME, "species tree is not completely binary" );
+        final int o = PhylogenyMethods.countNumberOfOneDescendantNodes( species_tree );
+        if ( o > 0 ) {
+            ForesterUtil.printWarningMessage( PRG_NAME, "species tree has " + o
+                    + " internal nodes with only one descendent! Going to strip them." );
+            PhylogenyMethods.deleteInternalNodesWithOnlyOneDescendent( species_tree );
+            if ( PhylogenyMethods.countNumberOfOneDescendantNodes( species_tree ) > 0 ) {
+                ForesterUtil.unexpectedFatalError( PRG_NAME, "stripping of one-desc nodes failed" );
+            }
+        }
+        final ALGORITHM algorithm;
+        if ( sdir ) {
+            algorithm = ALGORITHM.SDIR;
+        }
+        else {
+            algorithm = ALGORITHM.GSDIR;
         }
         try {
-            final RIO rio;
-            if ( ForesterUtil.isEmpty( query ) ) {
-                rio = new RIO( gene_trees_file, species_tree );
+            final RIO rio = RIO.executeAnalysis( gene_trees_file,
+                                                 species_tree,
+                                                 algorithm,
+                                                 REROOTING.BY_ALGORITHM,
+                                                 outgroup,
+                                                 logfile != null,
+                                                 true );
+            if ( algorithm == ALGORITHM.GSDIR ) {
+                ForesterUtil.programMessage( PRG_NAME, "taxonomy linking based on: " + rio.getGSDIRtaxCompBase() );
             }
-            else {
-                rio = new RIO( gene_trees_file, species_tree, query );
-            }
-            if ( outfile != null ) {
-                final StringBuilder output = new StringBuilder();
-                output.append( rio.inferredOrthologsToString( query, sort, cutoff_for_orthologs ) );
-                if ( output_ultraparalogs ) {
-                    output.append( "\n\nUltra paralogs:\n" );
-                    output.append( rio.inferredUltraParalogsToString( query, cutoff_for_ultra_paralogs ) );
-                }
-                output.append( "\n\nSort priority: " + RIO.getOrder( sort ) );
-                output.append( "\nExt nodes    : " + rio.getExtNodesOfAnalyzedGeneTrees() );
-                output.append( "\nSamples      : " + rio.getNumberOfSamples() + "\n" );
-                final PrintWriter out = new PrintWriter( new FileWriter( outfile ), true );
-                out.println( output );
-                out.close();
+            tableOutput( orthology_outtable, rio );
+            if ( ( algorithm != ALGORITHM.SDIR ) && ( logfile != null ) ) {
+                writeLogFile( logfile,
+                              rio,
+                              species_tree_file,
+                              gene_trees_file,
+                              orthology_outtable,
+                              PRG_NAME,
+                              PRG_VERSION,
+                              PRG_DATE,
+                              ForesterUtil.getForesterLibraryInformation() );
             }
-            if ( table_outfile != null ) {
-                tableOutput( table_outfile, rio );
+            final BasicDescriptiveStatistics stats = rio.getDuplicationsStatistics();
+            final java.text.DecimalFormat df = new java.text.DecimalFormat( "0.#" );
+            ForesterUtil.programMessage( PRG_NAME,
+                                         "Mean number of duplications  : " + df.format( stats.arithmeticMean() )
+                                                 + " (sd: " + df.format( stats.sampleStandardDeviation() ) + ")" );
+            if ( stats.getN() > 3 ) {
+                ForesterUtil.programMessage( PRG_NAME, "Median number of duplications: " + df.format( stats.median() ) );
             }
+            ForesterUtil.programMessage( PRG_NAME, "Minimum duplications         : " + ( int ) stats.getMin() );
+            ForesterUtil.programMessage( PRG_NAME, "Maximum duplications         : " + ( int ) stats.getMax() );
         }
         catch ( final RIOException e ) {
             ForesterUtil.fatalError( PRG_NAME, e.getLocalizedMessage() );
@@ -226,20 +203,67 @@ public class rio {
         catch ( final Exception e ) {
             ForesterUtil.unexpectedFatalError( PRG_NAME, e );
         }
-        if ( outfile != null ) {
-            ForesterUtil.programMessage( PRG_NAME, "wrote results to \"" + outfile + "\"" );
-        }
         time = System.currentTimeMillis() - time;
         ForesterUtil.programMessage( PRG_NAME, "time: " + time + "ms" );
         ForesterUtil.programMessage( PRG_NAME, "OK" );
         System.exit( 0 );
     }
 
+    private final static void printHelp() {
+        System.out.println( "Usage" );
+        System.out.println();
+        System.out
+                .println( PRG_NAME
+                        + " [options] <gene trees infile> <species tree infile> <all vs all orthology table outfile> [logfile]" );
+        System.out.println();
+        System.out.println( " Options" );
+        System.out.println( "  -" + USE_SDIR
+                + " : to use SDIR instead of GSDIR (faster, but non-binary species trees are disallowed)" );
+        System.out.println();
+        System.out.println( " Formats" );
+        System.out.println( "  The species tree is expected to be in phyloXML format." );
+        System.out
+                .println( "  The gene trees ideally are in phyloXML as well, but can also be in New Hamphshire (Newick)" );
+        System.out.println( "  or Nexus format as long as species information can be extracted from the gene names" );
+        System.out.println( "  (e.g. \"HUMAN\" from \"BCL2_HUMAN\")." );
+        System.out.println();
+        System.out.println( " Examples" );
+        System.out.println( "  \"rio gene_trees.nh species.xml outtable.tsv log.txt\"" );
+        System.out.println();
+        System.out.println( " More information: http://code.google.com/p/forester/wiki/RIO" );
+        System.out.println();
+        System.exit( -1 );
+    }
+
     private static void tableOutput( final File table_outfile, final RIO rio ) throws IOException, RIOException {
-        final IntMatrix m = RIO.calculateOrthologTable( rio.getAnalyzedGeneTrees() );
+        final IntMatrix m = RIO.calculateOrthologTable( rio.getAnalyzedGeneTrees(), true );
         writeTable( table_outfile, rio, m );
     }
 
+    private static void writeLogFile( final File logfile,
+                                      final RIO rio,
+                                      final File species_tree_file,
+                                      final File gene_trees_file,
+                                      final File outtable,
+                                      final String prg_name,
+                                      final String prg_v,
+                                      final String prg_date,
+                                      final String f ) throws IOException {
+        final EasyWriter out = ForesterUtil.createEasyWriter( logfile );
+        out.println( prg_name );
+        out.println( "version : " + prg_v );
+        out.println( "date    : " + prg_date );
+        out.println( "based on: " + f );
+        out.println( "----------------------------------" );
+        out.println( "Gene trees                                      : " + gene_trees_file );
+        out.println( "Species tree                                    : " + species_tree_file );
+        out.println( "All vs all orthology table                      : " + outtable );
+        out.flush();
+        out.println( rio.getLog().toString() );
+        out.close();
+        ForesterUtil.programMessage( PRG_NAME, "wrote log to \"" + logfile + "\"" );
+    }
+
     private static void writeTable( final File table_outfile, final RIO rio, final IntMatrix m ) throws IOException {
         final EasyWriter w = ForesterUtil.createEasyWriter( table_outfile );
         final java.text.DecimalFormat df = new java.text.DecimalFormat( "0.###" );
@@ -254,13 +278,13 @@ public class rio {
             for( int y = 0; y < m.size(); ++y ) {
                 w.print( "\t" );
                 if ( x == y ) {
-                    if ( m.get( x, y ) != rio.getNumberOfSamples() ) {
+                    if ( m.get( x, y ) != rio.getAnalyzedGeneTrees().length ) {
                         ForesterUtil.unexpectedFatalError( PRG_NAME, "diagonal value is off" );
                     }
                     w.print( "-" );
                 }
                 else {
-                    w.print( df.format( ( ( double ) m.get( x, y ) ) / rio.getNumberOfSamples() ) );
+                    w.print( df.format( ( ( double ) m.get( x, y ) ) / rio.getAnalyzedGeneTrees().length ) );
                 }
             }
             w.println();
@@ -268,42 +292,4 @@ public class rio {
         w.close();
         ForesterUtil.programMessage( PRG_NAME, "wrote table to \"" + table_outfile + "\"" );
     }
-
-    private final static void printHelp() {
-        System.out.println( "Usage" );
-        System.out.println();
-        System.out.println( PRG_NAME + " [options] <gene trees file> <species tree file> [outfile]" );
-        System.out.println();
-        System.out.println( " Options" );
-        System.out.println( "  -" + CUTOFF_ORTHO_OPTION + " : cutoff for ortholog output (default: 50)" );
-        System.out.println( "  -" + TABLE_OUTPUT_OPTION
-                + "  : file-name for output table of all vs. all ortholgy support" );
-        System.out.println( "  -" + QUERY_OPTION
-                + "  : name for query (sequence/node), if this is used, [outfile] is required as well" );
-        System.out.println( "  -" + SORT_OPTION + "  : sort (default: 1)" );
-        System.out.println( "  -" + OUTPUT_ULTRA_P_OPTION
-                + "  : to output ultra-paralogs (species specific expansions/paralogs)" );
-        System.out.println( "  -" + CUTOFF_ULTRA_P_OPTION + " : cutoff for ultra-paralog output (default: 50)" );
-        System.out.println();
-        System.out.println( " Note" );
-        System.out.println( "  Either output of all vs. all ortholgy support with -t=<output table> and/or output for" );
-        System.out.println( "  one query sequence with -q=<query name> and a [outfile] are required." );
-        System.out.println();
-        System.out.println( " Sort" );
-        System.out.println( RIO.getOrderHelp().toString() );
-        System.out.println( " Formats" );
-        System.out.println( "  The species tree is expected to be in phyloXML format." );
-        System.out
-                .println( "  The gene trees ideally are in phyloXML as well, but can also be in New Hamphshire (Newick)" );
-        System.out.println( "  or Nexus format as long as species information can be extracted from the gene names" );
-        System.out.println( "  (e.g. \"HUMAN\" from \"BCL2_HUMAN\")." );
-        System.out.println();
-        System.out.println( " Examples" );
-        System.out.println( "  \"rio gene_trees.nh species.xml outfile -q=BCL2_HUMAN -t=outtable -u -cu=60 -co=60\"" );
-        System.out.println( "  \"rio gene_trees.nh species.xml -t=outtable\"" );
-        System.out.println();
-        System.out.println( " More information: http://code.google.com/p/forester/wiki/RIO" );
-        System.out.println();
-        System.exit( -1 );
-    }
 }