in progress
authorcmzmasek@gmail.com <cmzmasek@gmail.com@ca865154-3058-d1c3-3e42-d8f55a55bdbd>
Fri, 19 Oct 2012 06:00:12 +0000 (06:00 +0000)
committercmzmasek@gmail.com <cmzmasek@gmail.com@ca865154-3058-d1c3-3e42-d8f55a55bdbd>
Fri, 19 Oct 2012 06:00:12 +0000 (06:00 +0000)
forester/ruby/evoruby/exe/hsp.rb
forester/ruby/evoruby/exe/test.rb
forester/ruby/evoruby/lib/evo/io/parser/hmmscan_domain_extractor.rb
forester/ruby/evoruby/lib/evo/tool/hmmscan_summary.rb [new file with mode: 0644]

index 493cc2d..7b09d13 100755 (executable)
@@ -9,11 +9,11 @@
 #
 # last modified: 11/24/2009
 
 #
 # last modified: 11/24/2009
 
-require 'lib/evo/tool/hmmscan_parser'
+require 'lib/evo/tool/hmmscan_summary'
 
 module Evoruby
 
 
 module Evoruby
 
-    hsp = HmmscanParser.new()
+    hsp = HmmscanSummary.new()
 
     hsp.run()
 
 
     hsp.run()
 
index cc9c466..24c3185 100755 (executable)
@@ -26,7 +26,7 @@ require 'lib/evo/io/parser/fasta_parser'
 require 'lib/evo/io/parser/ncbi_tseq_parser'
 require 'lib/evo/io/parser/hmmsearch_domain_extractor'
 require 'lib/evo/tool/domain_sequence_extractor'
 require 'lib/evo/io/parser/ncbi_tseq_parser'
 require 'lib/evo/io/parser/hmmsearch_domain_extractor'
 require 'lib/evo/tool/domain_sequence_extractor'
-require 'lib/evo/tool/hmmscan_parser'
+require 'lib/evo/tool/hmmscan_summary'
 require 'lib/evo/tool/domains_to_forester'
 require 'lib/evo/io/parser/general_msa_parser'
 require 'lib/evo/io/parser/basic_table_parser'
 require 'lib/evo/tool/domains_to_forester'
 require 'lib/evo/io/parser/general_msa_parser'
 require 'lib/evo/io/parser/basic_table_parser'
@@ -823,7 +823,7 @@ module Evoruby
 
         def test_hmmscan_parser()
             begin
 
         def test_hmmscan_parser()
             begin
-                h = Evoruby::HmmscanParser.new()
+                h = Evoruby::HmmscanSummary.new()
             rescue Exception => e
                 puts()
                 puts( e.to_s )
             rescue Exception => e
                 puts()
                 puts( e.to_s )
index 2c76dd6..30962da 100644 (file)
@@ -12,6 +12,8 @@ require 'lib/evo/msa/msa_factory'
 require 'lib/evo/io/msa_io'
 require 'lib/evo/io/writer/fasta_writer'
 require 'lib/evo/io/parser/fasta_parser'
 require 'lib/evo/io/msa_io'
 require 'lib/evo/io/writer/fasta_writer'
 require 'lib/evo/io/parser/fasta_parser'
+require 'lib/evo/io/parser/hmmscan_parser'
+
 
 
 module Evoruby
 
 
 module Evoruby
@@ -84,96 +86,89 @@ module Evoruby
       max_domain_copy_number_per_protein = -1
       max_domain_copy_number_sequence    = ""
 
       max_domain_copy_number_per_protein = -1
       max_domain_copy_number_sequence    = ""
 
-      hmmscan_datas = Array.new
+      hmmscan_datas = []
 
 
-      File.open( hmmscan_output ) do | file |
-        while line = file.gets
-          if !is_ignorable?( line ) && line =~ /^\S+\s+/
+      hmmscan_parser = HmmscanParser.new( hmmscan_output )
+      results = hmmscan_parser.parse
 
 
-            #         tn      acc     tlen    query   acc     qlen    Evalue  score   bias    #       of      c-E     i-E     score   bias    hf      ht      af      at      ef      et      acc     desc
-            #         1       2       3       4       5       6       7       8       9       10      11      12      13      14      15      16      17      18      19      20      21      22      23
-            line =~ /^(\S+)\s+(\S+)\s+(\d+)\s+(\S+)\s+(\S+)\s+(\d+)\s+(\S+)\s+(\S+)\s+(\S+)\s+(\d+)\s+(\d+)\s+(\S+)\s+(\S+)\s+(\S+)\s+(\S+)\s+(\d+)\s+(\d+)\s+(\d+)\s+(\d+)\s+(\d+)\s+(\d+)\s+(\S+)\s+(.*)/
+      results.each do | r |
+        if domain_id != r.model
+          next
+        end
 
 
-            if domain_id != $1
-              next
-            end
+        sequence  = r.query
+        number    = r.number
+        out_of    = r.out_of
+        env_from  = r.env_from
+        env_to    = r.env_to
+        i_e_value = r.i_e_value
+
+        if ( ( ( e_value_threshold < 0.0 ) || ( i_e_value <= e_value_threshold ) ) &&
+             ( ( length_threshold <= 0 )   || ( env_to - env_from + 1 ) >= length_threshold.to_f ) )
+          hmmscan_datas << HmmsearchData.new( sequence, number, out_of, env_from, env_to, i_e_value )
+          if ( number > max_domain_copy_number_per_protein )
+            max_domain_copy_number_sequence    = sequence
+            max_domain_copy_number_per_protein = number
+          end
+        else # failed
+          print( domain_fail_counter.to_s + ": " + sequence.to_s + " did not meet threshold(s)" )
+          log << domain_fail_counter.to_s + ": " + sequence.to_s + " did not meet threshold(s)"
+          if ( ( e_value_threshold.to_f >= 0.0 ) && ( i_e_value > e_value_threshold ) )
+            print( " iE=" + i_e_value.to_s )
+            log << " iE=" + i_e_value.to_s
+          end
+          if ( ( length_threshold.to_f > 0 ) && ( env_to - env_from + 1 ) < length_threshold.to_f )
+            le = env_to - env_from + 1
+            print( " l=" + le.to_s )
+            log << " l=" + le.to_s
+          end
+          print( ld )
+          log << ld
+          domain_fail_counter  += 1
+        end
 
 
-            sequence = $4
-            number   = $10.to_i
-            out_of   = $11.to_i
-            env_from = $20.to_i
-            env_to   = $21.to_i
-            i_e_value  = $13.to_f
-
-            if ( ( ( e_value_threshold < 0.0 ) || ( i_e_value <= e_value_threshold ) ) &&
-                 ( ( length_threshold <= 0 )   || ( env_to - env_from + 1 ) >= length_threshold.to_f ) )
-              hmmscan_datas << HmmsearchData.new( sequence, number, out_of, env_from, env_to, i_e_value )
-              if ( number > max_domain_copy_number_per_protein )
-                max_domain_copy_number_sequence    = sequence
-                max_domain_copy_number_per_protein = number
-              end
-            else # failed
-              print( domain_fail_counter.to_s + ": " + sequence.to_s + " did not meet threshold(s)" )
-              log << domain_fail_counter.to_s + ": " + sequence.to_s + " did not meet threshold(s)"
-              if ( ( e_value_threshold.to_f >= 0.0 ) && ( i_e_value > e_value_threshold ) )
-                print( " iE=" + i_e_value.to_s )
-                log << " iE=" + i_e_value.to_s
-              end
-              if ( ( length_threshold.to_f > 0 ) && ( env_to - env_from + 1 ) < length_threshold.to_f )
-                le = env_to - env_from + 1
-                print( " l=" + le.to_s )
-                log << " l=" + le.to_s
-              end
-              print( ld )
-              log << ld
-              domain_fail_counter  += 1
-            end
+        if number > out_of
+          error_msg = "number > out_of ! (this should not have happened)"
+          raise StandardError, error_msg
+        end
 
 
-            if number > out_of
-              error_msg = "number > out_of ! (this should not have happened)"
+        if number == out_of
+          if !hmmscan_datas.empty?
+            process_hmmscan_datas( hmmscan_datas,
+              in_msa,
+              add_position,
+              add_domain_number,
+              add_species,
+              out_msa,
+              out_msa_singles,
+              out_msa_pairs,
+              out_msa_isolated,
+              min_linker,
+              out_msa_single_domains_protein_seqs,
+              out_msa_close_pairs_protein_seqs,
+              out_msa_close_pairs_only_protein_seqs,
+              out_msa_isolated_protein_seqs,
+              out_msa_isolated_only_protein_seqs,
+              out_msa_isolated_and_close_pair_protein_seqs )
+            domain_pass_counter += hmmscan_datas.length
+            if passed_seqs.find_by_name_start( sequence, true ).length < 1
+              add_sequence( sequence, in_msa, passed_seqs )
+            else
+              error_msg = "this should not have happened"
               raise StandardError, error_msg
             end
               raise StandardError, error_msg
             end
-
-            if number == out_of
-              if !hmmscan_datas.empty?
-                process_hmmscan_datas( hmmscan_datas,
-                  in_msa,
-                  add_position,
-                  add_domain_number,
-                  add_species,
-                  out_msa,
-                  out_msa_singles,
-                  out_msa_pairs,
-                  out_msa_isolated,
-                  min_linker,
-                  out_msa_single_domains_protein_seqs,
-                  out_msa_close_pairs_protein_seqs,
-                  out_msa_close_pairs_only_protein_seqs,
-                  out_msa_isolated_protein_seqs,
-                  out_msa_isolated_only_protein_seqs,
-                  out_msa_isolated_and_close_pair_protein_seqs )
-                domain_pass_counter += hmmscan_datas.length
-                if passed_seqs.find_by_name_start( sequence, true ).length < 1
-                  add_sequence( sequence, in_msa, passed_seqs )
-                else
-                  error_msg = "this should not have happened"
-                  raise StandardError, error_msg
-                end
-              else
-                if failed_seqs.find_by_name_start( sequence, true ).length < 1
-                  add_sequence( sequence, in_msa, failed_seqs )
-                  proteins_with_failing_domains += 1
-                else
-                  error_msg = "this should not have happened"
-                  raise StandardError, error_msg
-                end
-              end
-              hmmscan_datas.clear
+          else
+            if failed_seqs.find_by_name_start( sequence, true ).length < 1
+              add_sequence( sequence, in_msa, failed_seqs )
+              proteins_with_failing_domains += 1
+            else
+              error_msg = "this should not have happened"
+              raise StandardError, error_msg
             end
             end
-
           end
           end
-        end #  while line = file.gets
-      end # File.open( hmmsearch_output ) do | file |
+          hmmscan_datas.clear
+        end
+      end
 
       if domain_pass_counter < 1
         error_msg = "no domain sequences were extracted"
 
       if domain_pass_counter < 1
         error_msg = "no domain sequences were extracted"
diff --git a/forester/ruby/evoruby/lib/evo/tool/hmmscan_summary.rb b/forester/ruby/evoruby/lib/evo/tool/hmmscan_summary.rb
new file mode 100644 (file)
index 0000000..bb697b0
--- /dev/null
@@ -0,0 +1,333 @@
+#
+# = lib/evo/apps/hmmscan_parser.rb - HmmscanParser class
+#
+# Copyright::  Copyright (C) 2006-2007 Christian M. Zmasek
+# License::    GNU Lesser General Public License (LGPL)
+#
+# $Id: hmmscan_parser.rb,v 1.5 2010/12/13 19:00:11 cmzmasek Exp $
+#
+# last modified: 11/24/2009
+
+require 'lib/evo/util/constants'
+require 'lib/evo/util/util'
+require 'lib/evo/util/command_line_arguments'
+require 'lib/evo/io/parser/hmmscan_parser'
+
+module Evoruby
+
+  class HmmscanSummary
+
+    PRG_NAME       = "hsp"
+    PRG_VERSION    = "2.000"
+    PRG_DESC       = "hmmscan parser"
+    PRG_DATE       = "2012.10.19"
+    COPYRIGHT      = "2012 Christian M Zmasek"
+    CONTACT        = "phylosoft@gmail.com"
+    WWW            = "www.phylosoft.org"
+
+    DELIMITER_OPTION              = "d"
+    I_E_VALUE_THRESHOLD_OPTION    = "e"
+    FS_E_VALUE_THRESHOLD_OPTION   = "pe"
+    HMM_FOR_PROTEIN_OUTPUT        = "m"
+    IGNORE_DUF_OPTION             = "i"
+    PARSE_OUT_DESCRIPITION_OPTION = "a"
+    HELP_OPTION_1                 = "help"
+    HELP_OPTION_2                 = "h"
+
+    def initialize
+      @domain_counts = Hash.new
+    end
+
+    # raises ArgumentError, IOError
+    def parse( inpath,
+        outpath,
+        column_delimiter,
+        i_e_value_threshold,
+        ignore_dufs,
+        get_descriptions,
+        fs_e_value_threshold,
+        hmm_for_protein_output )
+      Util.check_file_for_readability( inpath )
+      Util.check_file_for_writability( outpath )
+
+      outfile = File.open( outpath, "a" )
+
+      query     = ""
+      desc      = ""
+      model     = ""
+      env_from  = ""
+      env_to    = ""
+      i_e_value = ""
+
+      hmmscan_results_per_protein = []
+
+      hmmscan_parser = HmmscanParser.new( inpath )
+
+      prev_query = ""
+
+      hmmscan_parser.parse.each do | r |
+        model     = r.model
+        query     = r.query
+        i_e_value = r.i_e_value
+        env_from  = r.env_from
+        env_to    = r.env_to
+
+        if ( ( i_e_value_threshold < 0.0 ) || ( i_e_value <= i_e_value_threshold ) ) &&
+           ( !ignore_dufs || ( model !~ /^DUF\d+/ ) )
+          count_model( model )
+          outfile.print( query +
+             column_delimiter )
+          if ( get_descriptions )
+            outfile.print( desc +
+               column_delimiter )
+          end
+          outfile.print( model +
+             column_delimiter +
+             env_from.to_s +
+             column_delimiter +
+             env_to.to_s +
+             column_delimiter +
+             i_e_value.to_s )
+          outfile.print( Constants::LINE_DELIMITER )
+        end
+
+        if  !prev_query.empty? && prev_query != query
+          if !hmmscan_results_per_protein.empty?
+            process_hmmscan_results_per_protein( hmmscan_results_per_protein,
+              fs_e_value_threshold,
+              hmm_for_protein_output  )
+          end
+          hmmscan_results_per_protein.clear
+        end
+        prev_query = query
+        hmmscan_results_per_protein << r
+      end
+      if !hmmscan_results_per_protein.empty?
+        process_hmmscan_results_per_protein( hmmscan_results_per_protein,
+          fs_e_value_threshold,
+          hmm_for_protein_output  )
+      end
+      outfile.flush()
+      outfile.close()
+
+    end # def parse
+
+    def count_model( model )
+      if ( @domain_counts.has_key?( model ) )
+        count = @domain_counts[ model ].to_i
+        count += 1
+        @domain_counts[ model ] = count
+      else
+        @domain_counts[ model ] = 1
+      end
+    end
+
+    def process_hmmscan_results_per_protein( hmmscan_results_per_protein,
+        fs_e_value_threshold,
+        hmm_for_protein_output )
+
+      fs_e_value = -1
+      hmmscan_results_per_protein.each do | r |
+        if r.model ==  hmm_for_protein_output
+          fs_e_value = r.fs_e_value
+          if fs_e_value > fs_e_value_threshold
+            return
+          end
+        end
+      end
+
+
+      first = hmmscan_results_per_protein[ 0 ]
+      s = ""
+      s << first.query + "\t"
+      s << fs_e_value.to_s + "\t"
+      s << first.qlen.to_s + "\t"
+      # s << first.fs_e_value.to_s + "\t"
+      # s << first.out_of.to_s + "\t"
+      hmmscan_results_per_protein.each do | r |
+        s <<  r.model + "|"
+      end
+      puts s
+    end
+
+
+    def get_domain_counts()
+      return @domain_counts
+    end
+
+    def run()
+
+      Util.print_program_information( PRG_NAME,
+        PRG_VERSION,
+        PRG_DESC,
+        PRG_DATE,
+        COPYRIGHT,
+        CONTACT,
+        WWW,
+        STDOUT )
+
+      begin
+        cla = CommandLineArguments.new( ARGV )
+      rescue ArgumentError => e
+        Util.fatal_error( PRG_NAME, "error: " + e.to_s, STDOUT )
+      end
+
+      if ( cla.is_option_set?( HELP_OPTION_1 ) ||
+           cla.is_option_set?( HELP_OPTION_2 ) )
+        print_help
+        exit( 0 )
+      end
+
+      if ( cla.get_number_of_files != 2 )
+        print_help
+        exit( -1 )
+      end
+
+      allowed_opts = Array.new
+      allowed_opts.push( DELIMITER_OPTION )
+      allowed_opts.push( I_E_VALUE_THRESHOLD_OPTION )
+      allowed_opts.push( FS_E_VALUE_THRESHOLD_OPTION )
+      allowed_opts.push( IGNORE_DUF_OPTION )
+      allowed_opts.push( PARSE_OUT_DESCRIPITION_OPTION )
+      allowed_opts.push( HMM_FOR_PROTEIN_OUTPUT )
+
+      disallowed = cla.validate_allowed_options_as_str( allowed_opts )
+      if ( disallowed.length > 0 )
+        Util.fatal_error( PRG_NAME,
+          "unknown option(s): " + disallowed,
+          STDOUT )
+      end
+
+      inpath = cla.get_file_name( 0 )
+      outpath = cla.get_file_name( 1 )
+
+      column_delimiter = "\t"
+      if ( cla.is_option_set?( DELIMITER_OPTION ) )
+        begin
+          column_delimiter = cla.get_option_value( DELIMITER_OPTION )
+        rescue ArgumentError => e
+          Util.fatal_error( PRG_NAME, "error: " + e.to_s, STDOUT )
+        end
+      end
+
+      i_e_value_threshold = -1.0
+      if ( cla.is_option_set?( I_E_VALUE_THRESHOLD_OPTION ) )
+        begin
+          i_e_value_threshold = cla.get_option_value_as_float( I_E_VALUE_THRESHOLD_OPTION )
+        rescue ArgumentError => e
+          Util.fatal_error( PRG_NAME, "error: " + e.to_s, STDOUT )
+        end
+        if ( i_e_value_threshold < 0.0 )
+          Util.fatal_error( PRG_NAME, "attempt to use a negative i-E-value threshold", STDOUT )
+        end
+      end
+
+      fs_e_value_threshold = -1.0
+      if ( cla.is_option_set?( FS_E_VALUE_THRESHOLD_OPTION ) )
+        begin
+          fs_e_value_threshold = cla.get_option_value_as_float( FS_E_VALUE_THRESHOLD_OPTION )
+        rescue ArgumentError => e
+          Util.fatal_error( PRG_NAME, "error: " + e.to_s, STDOUT )
+        end
+        if ( fs_e_value_threshold < 0.0 )
+          Util.fatal_error( PRG_NAME, "attempt to use a negative E-value threshold", STDOUT )
+        end
+      end
+
+
+      hmm_for_protein_output = ""
+      if ( cla.is_option_set?( HMM_FOR_PROTEIN_OUTPUT ) )
+        begin
+          hmm_for_protein_output = cla.get_option_value( HMM_FOR_PROTEIN_OUTPUT )
+        rescue ArgumentError => e
+          Util.fatal_error( PRG_NAME, "error: " + e.to_s, STDOUT )
+        end
+      end
+
+
+      ignore_dufs = false
+      if ( cla.is_option_set?( IGNORE_DUF_OPTION ) )
+        ignore_dufs = true
+      end
+
+      parse_descriptions = false
+      if ( cla.is_option_set?( PARSE_OUT_DESCRIPITION_OPTION ) )
+        parse_descriptions = true
+      end
+
+      puts()
+      puts( "hmmpfam outputfile  : " + inpath )
+      puts( "outputfile          : " + outpath )
+      if ( i_e_value_threshold >= 0.0 )
+        puts( "i-E-value threshold : " + i_e_value_threshold.to_s )
+      else
+        puts( "i-E-value threshold : no threshold" )
+      end
+      if ( parse_descriptions )
+        puts( "parse descriptions  : true" )
+      else
+        puts( "parse descriptions  : false" )
+      end
+      if ( ignore_dufs )
+        puts( "ignore DUFs         : true" )
+      else
+        puts( "ignore DUFs         : false" )
+      end
+      if ( column_delimiter == "\t" )
+        puts( "column delimiter    : TAB" )
+      else
+        puts( "column delimiter     : " + column_delimiter )
+      end
+      if ( fs_e_value_threshold >= 0.0 )
+        puts( "E-value threshold   : " + fs_e_value_threshold.to_s )
+      else
+        puts( "E-value threshold   : no threshold" )
+      end
+      if ( !hmm_for_protein_output.empty? )
+        puts( "HMM for proteins    : " + hmm_for_protein_output )
+      end
+      puts()
+
+      begin
+        parse( inpath,
+          outpath,
+          column_delimiter,
+          i_e_value_threshold,
+          ignore_dufs,
+          parse_descriptions,
+          fs_e_value_threshold,
+          hmm_for_protein_output )
+      rescue ArgumentError, IOError => e
+        Util.fatal_error( PRG_NAME, "error: " + e.to_s, STDOUT )
+      end
+      domain_counts = get_domain_counts()
+
+
+      puts
+      puts( "domain counts (considering potential i-E-value threshold and ignoring of DUFs):" )
+      puts( "(number of different domains: " + domain_counts.length.to_s + ")" )
+      puts
+      puts( Util.draw_histogram( domain_counts, "#" ) )
+      puts
+      Util.print_message( PRG_NAME, 'OK' )
+      puts
+
+    end # def run()
+
+    def print_help()
+      puts( "Usage:" )
+      puts()
+      puts( "  " + PRG_NAME + ".rb [options] <hmmscan outputfile> <outputfile>" )
+      puts()
+      puts( "  options: -" + DELIMITER_OPTION + ": column delimiter for outputfile, default is TAB" )
+      puts( "           -" + I_E_VALUE_THRESHOLD_OPTION  + ": i-E-value threshold, default is no threshold" )
+      puts( "           -" + PARSE_OUT_DESCRIPITION_OPTION  + ": parse query description (in addition to query name)" )
+      puts( "           -" + IGNORE_DUF_OPTION  + ": ignore DUFs" )
+      puts( "           -" + FS_E_VALUE_THRESHOLD_OPTION  + ": E-value threshold for full protein sequences, only for protein summary" )
+      puts( "           -" + HMM_FOR_PROTEIN_OUTPUT + ": HMM for protein summary" )
+      puts()
+    end
+
+  end # class HmmscanParser
+
+end # module Evoruby
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