Class: Ms::Sequest::Srf::DTA

Inherits:
Object
  • Object
show all
Defined in:
lib/ms/sequest/srf.rb

Constant Summary collapse

Unpack_32 =

original Unpack = “EeIvvvv”

"EeIvvvv"
Unpack_35 = 
"Ex8eVx2vvvv"

Instance Method Summary collapse

Instance Method Details

#from_io(fh, unpack_35) ⇒ Object 



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# File 'lib/ms/sequest/srf.rb', line 482

def from_io(fh, unpack_35)
  if unpack_35
    @unpack = Unpack_35
    @read_header = 34
    @read_spacer = 22
  else
    @unpack = Unpack_32
    @read_header = 24
    @read_spacer = 24
  end

  st = fh.read(@read_header)
  # get the bulk of the data in single unpack
  self[0,7] = st.unpack(@unpack)

  # Scan numbers are given at the end in an index!
  st2 = fh.read(@read_spacer)

  num_bytes_to_read = num_peaks * 8  
  st3 = fh.read(num_bytes_to_read)
  self[7] = st3
  self
end

#inspect ⇒ Object 



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# File 'lib/ms/sequest/srf.rb', line 476

def inspect
  peaks_st = 'nil'
  if self[7] ; peaks_st = "[#{self[7].size} bytes]" end
  "<Ms::Sequest::Srf::DTA @mh=#{mh} @dta_tic=#{dta_tic} @num_peaks=#{num_peaks} @charge=#{charge} @ms_level=#{ms_level} @total_num_possible_charge_states=#{total_num_possible_charge_states} @peaks=#{peaks_st} >"
end

#round(float, decimal_places) ⇒ Object 



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# File 'lib/ms/sequest/srf.rb', line 522

def round(float, decimal_places)
  sprintf("%.#{decimal_places}f", float)
end

#to_dta_file_data ⇒ Object 



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# File 'lib/ms/sequest/srf.rb', line 506

def to_dta_file_data
  string = "#{round(mh, 6)} #{charge}\r\n"
  peak_ar = peaks.unpack('e*')
  (0...(peak_ar.size)).step(2) do |i|
    # %d is equivalent to floor, so we round by adding 0.5!
    string << "#{round(peak_ar[i], 4)} #{(peak_ar[i+1] + 0.5).floor}\r\n"
    #string << peak_ar[i,2].join(' ') << "\r\n"
  end
  string
end

#write_dta_file(io) ⇒ Object

write a class dta file to the io object



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# File 'lib/ms/sequest/srf.rb', line 518

def write_dta_file(io)
  io.print to_dta_file_data
end