# Class for parsing cmc.out
#
# Written by k-fleak
#


class ParseCMCout
  
  def initialize(filename)
    @cmcOut = open(filename, "r")
    parseCMCout
  end
  
  def getNumAtomMCcell
    @numAtomMCcell
  end
  
  def getPosition
    @position
  end
  
  def getAveEnergy
    @eAveMCcell
  end
  
  def getCorrelation
    @corr
  end
  
  private
  
  def parseCMCout
    flagArray = [0, 0, 0]
    @corr = Array.new
    @position = Array.new
    @cmcOut.each do |line|
      case line
      when /correlation/
        flagArray[0] = 1
      when /Averages/
        flagArray[0] = 0
        flagArray[1] = 1
      when /Position/
        flagArray[1] = 0
        flagArray[2] = 1
      end
      
      if flagArray[0] == 1 then
        corrTmp = Array.new
        unless line.strip.empty? or /correlation/ =~ line or /-----/ =~ line then
          lineArr = line.strip.split(/:/)
          @corr.push([lineArr[0].strip, lineArr[1].strip])
        end
      end
      
      if flagArray[1] == 1 then
        if /eV/ =~ line then
          lineArr = line.strip.split
          @eAveMCcell = lineArr[4].to_f
        end
      end
      
      if flagArray[2] == 1 then
        unless line.strip.empty? or /Position/ =~ line or /-----/ =~ line then
          lineArr = line.strip.split
          @position.push(lineArr)
        end
      end
      
    end
    @numAtomMCcell = @position.size
  end
  
  
  
end

pc = ParseCMCout.new("cmc.out")