"rio" work
[jalview.git] / forester / java / src / org / forester / application / rio.java
index 5bf670b..5c838f9 100644 (file)
@@ -31,20 +31,19 @@ import java.io.File;
 import java.io.IOException;
 import java.util.ArrayList;
 import java.util.List;
-import java.util.SortedSet;
-import java.util.TreeSet;
 
 import org.forester.datastructures.IntMatrix;
 import org.forester.io.parsers.phyloxml.PhyloXmlParser;
 import org.forester.phylogeny.Phylogeny;
-import org.forester.phylogeny.PhylogenyNode;
-import org.forester.phylogeny.data.Taxonomy;
+import org.forester.phylogeny.PhylogenyMethods;
 import org.forester.phylogeny.factories.ParserBasedPhylogenyFactory;
 import org.forester.phylogeny.factories.PhylogenyFactory;
 import org.forester.rio.RIO;
+import org.forester.rio.RIO.REROOTING;
 import org.forester.rio.RIOException;
-import org.forester.sdi.SDI.ALGORITHM;
 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;
@@ -52,12 +51,16 @@ import org.forester.util.ForesterUtil;
 public class rio {
 
     final static private String PRG_NAME      = "rio";
-    final static private String PRG_VERSION   = "4.000 beta 1";
-    final static private String PRG_DATE      = "2012.12.11";
+    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 GT_FIRST      = "f";
+    final static private String GT_LAST       = "l";
+    final static private String REROOTING_OPT = "r";
+    final static private String OUTGROUP      = "o";
     final static private String USE_SDIR      = "b";
 
     public static void main( final String[] args ) {
@@ -78,13 +81,17 @@ public class rio {
         if ( cla.isOptionSet( HELP_OPTION_1 ) || cla.isOptionSet( HELP_OPTION_2 ) || ( args.length == 0 ) ) {
             printHelp();
         }
-        if ( ( args.length < 3 ) || ( args.length > 5 ) ) {
+        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( GT_FIRST );
+        allowed_options.add( GT_LAST );
+        allowed_options.add( REROOTING_OPT );
+        allowed_options.add( OUTGROUP );
         allowed_options.add( USE_SDIR );
         final String dissallowed_options = cla.validateAllowedOptionsAsString( allowed_options );
         if ( dissallowed_options.length() > 0 ) {
@@ -92,21 +99,78 @@ public class rio {
         }
         final File gene_trees_file = cla.getFile( 0 );
         final File species_tree_file = cla.getFile( 1 );
-        final File othology_outtable = 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;
         }
+        String outgroup = null;
+        if ( cla.isOptionSet( OUTGROUP ) ) {
+            if ( !cla.isOptionHasAValue( OUTGROUP ) ) {
+                ForesterUtil.fatalError( PRG_NAME, "no value for -" + OUTGROUP );
+            }
+            outgroup = cla.getOptionValueAsCleanString( OUTGROUP );
+        }
+        REROOTING rerooting = REROOTING.BY_ALGORITHM;
+        if ( cla.isOptionSet( REROOTING_OPT ) ) {
+            if ( !cla.isOptionHasAValue( REROOTING_OPT ) ) {
+                ForesterUtil.fatalError( PRG_NAME, "no value for -" + REROOTING_OPT );
+            }
+            final String rerooting_str = cla.getOptionValueAsCleanString( REROOTING_OPT ).toLowerCase();
+            if ( rerooting_str.equals( "none" ) ) {
+                rerooting = REROOTING.NONE;
+            }
+            else if ( rerooting_str.equals( "midpoint" ) ) {
+                rerooting = REROOTING.MIDPOINT;
+            }
+            else if ( rerooting_str.equals( "outgroup" ) ) {
+                rerooting = REROOTING.OUTGROUP;
+            }
+            else {
+                ForesterUtil.fatalError( PRG_NAME, "legal values for  -" + REROOTING_OPT
+                        + " are: none, midpoint, or outgroup (minizming duplications is default)" );
+            }
+        }
+        int gt_first = -1;
+        int gt_last = -1;
+        if ( cla.isOptionSet( GT_FIRST ) ) {
+            if ( !cla.isOptionHasAValue( GT_FIRST ) ) {
+                ForesterUtil.fatalError( PRG_NAME, "no value for -" + GT_FIRST );
+            }
+            try {
+                gt_first = cla.getOptionValueAsInt( GT_FIRST );
+            }
+            catch ( IOException e ) {
+                ForesterUtil.fatalError( PRG_NAME, "could not parse integer for -" + GT_FIRST );
+            }
+        }
+        if ( cla.isOptionSet( GT_LAST ) ) {
+            if ( !cla.isOptionHasAValue( GT_LAST ) ) {
+                ForesterUtil.fatalError( PRG_NAME, "no value for -" + GT_LAST );
+            }
+            try {
+                gt_last = cla.getOptionValueAsInt( GT_LAST );
+            }
+            catch ( IOException e ) {
+                ForesterUtil.fatalError( PRG_NAME, "could not parse integer for -" + GT_LAST );
+            }
+        }
         ForesterUtil.fatalErrorIfFileNotReadable( PRG_NAME, gene_trees_file );
         ForesterUtil.fatalErrorIfFileNotReadable( PRG_NAME, species_tree_file );
-        if ( othology_outtable.exists() ) {
-            ForesterUtil.fatalError( PRG_NAME, "\"" + othology_outtable + "\" already exists" );
+        if ( orthology_outtable.exists() ) {
+            ForesterUtil.fatalError( PRG_NAME, "\"" + orthology_outtable + "\" already exists" );
         }
         boolean sdir = false;
         if ( cla.isOptionSet( USE_SDIR ) ) {
+            if ( cla.isOptionHasAValue( USE_SDIR ) ) {
+                ForesterUtil.fatalError( PRG_NAME, "no value allowed for -" + USE_SDIR );
+            }
             sdir = true;
             if ( logfile != null ) {
                 ForesterUtil.fatalError( PRG_NAME, "logfile output only for GSDIR algorithm" );
@@ -115,7 +179,7 @@ public class rio {
         long time = 0;
         System.out.println( "Gene trees                : " + gene_trees_file );
         System.out.println( "Species tree              : " + species_tree_file );
-        System.out.println( "All vs all orthology table: " + othology_outtable );
+        System.out.println( "All vs all orthology table: " + orthology_outtable );
         if ( !sdir ) {
             if ( logfile != null ) {
                 System.out.println( "Logfile                   : " + logfile );
@@ -138,6 +202,15 @@ public class rio {
         if ( !species_tree.isRooted() ) {
             ForesterUtil.fatalError( PRG_NAME, "species tree is not rooted" );
         }
+        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;
@@ -146,14 +219,38 @@ public class rio {
             algorithm = ALGORITHM.GSDIR;
         }
         try {
-            final RIO rio = new RIO( gene_trees_file, species_tree, algorithm, logfile != null );
+            final RIO rio = RIO.executeAnalysis( gene_trees_file,
+                                                 species_tree,
+                                                 algorithm,
+                                                 rerooting,
+                                                 outgroup,
+                                                 logfile != null,
+                                                 true );
             if ( algorithm == ALGORITHM.GSDIR ) {
-                System.out.println( "Taxonomy linking based on : " + rio.getGSDIRtaxCompBase() );
+                ForesterUtil.programMessage( PRG_NAME, "taxonomy linking based on: " + rio.getGSDIRtaxCompBase() );
             }
-            tableOutput( othology_outtable, rio );
-            if ( ( algorithm == ALGORITHM.GSDIR ) && ( logfile != null ) ) {
-                writeLogFile( logfile, rio );
+            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() );
             }
+            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() );
@@ -173,35 +270,34 @@ public class rio {
         System.exit( 0 );
     }
 
-    private static void writeLogFile( final File logfile, final RIO rio ) throws IOException {
-        final EasyWriter out = ForesterUtil.createEasyWriter( logfile );
-        out.println( "Species stripped from gene trees:" );
-        final SortedSet<String> rn = new TreeSet<String>();
-        for( final PhylogenyNode n : rio.getRemovedGeneTreeNodes() ) {
-            final Taxonomy t = n.getNodeData().getTaxonomy();
-            switch ( rio.getGSDIRtaxCompBase() ) {
-                case CODE: {
-                    rn.add( t.getTaxonomyCode() );
-                    break;
-                }
-                case ID: {
-                    rn.add( t.getIdentifier().toString() );
-                    break;
-                }
-                case SCIENTIFIC_NAME: {
-                    rn.add( t.getScientificName() );
-                    break;
-                }
-            }
-        }
-        for( final String s : rn ) {
-            out.println( s );
-        }
-        out.println();
-        out.println( "Some information about duplication numbers in gene trees:" );
-        out.println( rio.getLog().toString() );
-        out.close();
-        ForesterUtil.programMessage( PRG_NAME, "wrote log to \"" + logfile + "\"" );
+    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( "  -" + GT_FIRST + "=<first>   : to" );
+        System.out.println( "  -" + GT_LAST + "=<last>    : to" );
+        System.out.println( "  -" + REROOTING_OPT + "           : to" );
+        System.out.println( "  -" + OUTGROUP + "=<outgroup>: tp" );
+        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 {
@@ -209,6 +305,30 @@ public class rio {
         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.###" );
@@ -223,13 +343,13 @@ 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();
@@ -237,30 +357,4 @@ 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 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 );
-    }
 }