#! /usr/bin/env ruby
# coding: utf-8

puts "'checkvasp' is obsoleted. Use showvaspdir and showvaspgeomopt."
exit

## Show state of vasp geometry optimization calculations.
#
##require "vasputils/calcseries.rb"
#require "rubygems"
#gem "vasputils"
#require "vasputils.rb"
#
#require "pp"
#require "optparse"
#
### option analysis
#OPTIONS = {}
#op = OptionParser.new
#OPTIONS[:show_state] = []
#op.on("-f", "--finished"    , "Show finished. -a is ignored."){OPTIONS[:show_state] << :finished}
#op.on("-y", "--yet"             , "Show yet."                                      ){OPTIONS[:show_state] << :yet}
#op.on("-t", "--terminated", "Show terminated."                         ){OPTIONS[:show_state] << :terminated}
#op.on("-s", "--started"     , "Show sarted."                                   ){OPTIONS[:show_state] << :started}
#op.on("-l", "--files-with-matches", "Show filename only."  ){OPTIONS[:filename  ] = true}
#op.parse!(ARGV)
#
### if all select are not set, all are set.
#if OPTIONS[:show_state].size == 0
#    OPTIONS[:all]   = true
#end
##pp OPTIONS; exit
#
#LONGEST_STATE = :terminated.size
#KLASSES = [VaspUtils::VaspDir, VaspUtils::VaspGeometryOptimizer]
#
#dirs = ARGV
#dirs = Dir.glob("*").sort if ARGV.empty?
#
#def guess(dir)
#    KLASSES.each do |klass|
#        begin
#            vd = klass.new(dir)
#            return klass
#        rescue klass::InitializeError
#        end
#    end
#    raise "Cannot identify class for directory #{dir}."
#end
#
#def show(klass_name, state, try, toten, i_step, e_step, dir)
#    if (OPTIONS[:all]) || (OPTIONS[:show_state].include? state)
#        unless OPTIONS[:filename]
#            printf "%-11s ", klass_name
#            printf "%-10s ", state
#            printf "%5s ", try
#            printf "%17s %3s (%3s) ", toten, i_step, e_step
#        end
#        print  dir
#        puts
#    end
#end
#
#dirs.each do |dir|
#    next unless File.directory? dir
#
#    begin
#        klass = guess(dir)
#        klass_name = klass.to_s
#    rescue 
#        klass_name = "UnknownDir"
#    end
#
#    case klass_name
#    when "VaspUtils::VaspDir"
#        klass_name = "VaspDir"
#        calc = klass.new(dir)
#        state = calc.state
#        try = ""
#        begin
#            outcar = calc.outcar
#            toten  = sprintf("%17.6f", outcar[:totens][-1].to_f)
#            i_step = outcar[:ionic_steps]
#            e_step = outcar[:electronic_steps]
#        rescue
#            toten  = i_step = e_step = ""
#        end
#
#    when "VaspUtils::VaspGeometryOptimizer"
#        klass_name = "VaspGeomOpt"
#        calc = klass.new(dir)
#        state = calc.state
#
#        ld = calc.latest_dir
#        try = sprintf "%5s", ld.dir.sub(/.*try/, "try")
#        begin
#            outcar = ld.outcar
#            toten  = sprintf("%15.6f ", outcar[:totens][-1].to_f)
#            i_step = outcar[:ionic_steps]
#            e_step = outcar[:electronic_steps]
#        rescue
#            toten  = i_step = e_step = ""
#        end
#
#    when "UnknownDir"
#        klass_name = "UnknownDir"
#        state = try = toten = i_step = e_step = ""
#    end
#    show(klass_name, state, try, toten, i_step, e_step, dir)
#
#end