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

$TEST = true

class VaspDir
  attr_reader :mode
end

require "test/unit"
require "vasputils/vaspdir.rb"

# assert_equal( cor, data)
# assert_in_delta( cor, data, $tolerance )
# assert_raise( RuntimeError ){}


class TC_VaspDir < Test::Unit::TestCase

  GENERATED_FILES_VD00 = 
  [
    "test/vaspdir/not-yet-ISIF2/CHG",
    "test/vaspdir/not-yet-ISIF2/CHGCAR",
    "test/vaspdir/not-yet-ISIF2/CONTCAR",
    "test/vaspdir/not-yet-ISIF2/DOSCAR",
    "test/vaspdir/not-yet-ISIF2/EIGENVAL",
    "test/vaspdir/not-yet-ISIF2/IBZKPT",
    "test/vaspdir/not-yet-ISIF2/OSZICAR",
    "test/vaspdir/not-yet-ISIF2/OUTCAR",
    "test/vaspdir/not-yet-ISIF2/PCDAT",
    "test/vaspdir/not-yet-ISIF2/WAVECAR",
    "test/vaspdir/not-yet-ISIF2/XDATCAR",
    "test/vaspdir/not-yet-ISIF2/machines",
    "test/vaspdir/not-yet-ISIF2/vasprun.xml",
    "test/vaspdir/not-yet-ISIF2/lock",
  ]

  def setup
    @vd00 = VaspDir.new("test/vaspdir/not-yet-ISIF2")
    @vd01 = VaspDir.new("test/vaspdir/not-yet-ISIF3")
    @vd02 = VaspDir.new("test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT")
    @vd03 = VaspDir.new("test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1")
    @vd04 = VaspDir.new("test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2")
    @vd05 = VaspDir.new("test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3")
    @vd06 = VaspDir.new("test/vaspdir/PI")
    @vd07 = VaspDir.new("test/vaspdir/lock")
    @vd08 = VaspDir.new("test/vaspdir/lock-PI")
    @vd09 = VaspDir.new("test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3")
    @vd10 = VaspDir.new("test/vaspdir/next-try00")
    @vd11 = VaspDir.new("test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1")
    @vd12 = VaspDir.new("test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1")
    @vd13 = VaspDir.new("test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1")
    @vd14 = VaspDir.new("test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1")
    @vd15 = VaspDir.new("test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1")

    GENERATED_FILES_VD00.each do |file|
      FileUtils.rm file if File.exist? file
    end
  end

  def teardown
    ["test/vaspdir/next-try01/POSCAR" ,
      "test/vaspdir/next-try01/POTCAR" ,
      "test/vaspdir/next-try01/INCAR"  ,
      "test/vaspdir/next-try01/KPOINTS"].each do |filename|
      FileUtils.rm(filename) if File.exist?(filename)
    end
    Dir.rmdir("test/vaspdir/next-try01") if File.exist?("test/vaspdir/next-try01")

    GENERATED_FILES_VD00.each do |file|
      FileUtils.rm file if File.exist? file
    end
  end

  def test_initialize
    assert_raise(VaspDir::InitializeError){VaspDir.new("test/vaspdir/lack-INCAR"  )}
    assert_raise(VaspDir::InitializeError){VaspDir.new("test/vaspdir/lack-KPOINTS")}
    assert_raise(VaspDir::InitializeError){VaspDir.new("test/vaspdir/lack-POSCAR" )}
    assert_raise(VaspDir::InitializeError){VaspDir.new("test/vaspdir/lack-POTCAR" )}

    assert_equal(:geom_opt_atoms,   @vd00.mode)
    assert_equal(:geom_opt_lattice, @vd01.mode)
    assert_equal(:geom_opt_lattice, @vd02.mode)
    assert_equal(:geom_opt_atoms,   @vd03.mode)
  end

  def test_name
    assert_equal("test/vaspdir/not-yet-ISIF2"                , @vd00.name)
    assert_equal("test/vaspdir/not-yet-ISIF3"                , @vd01.name)
    assert_equal("test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT", @vd02.name)
    assert_equal("test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1"    , @vd03.name)
    assert_equal("test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2"    , @vd04.name)
    assert_equal("test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3"    , @vd05.name)
    assert_equal("test/vaspdir/PI"                           , @vd06.name)
    assert_equal("test/vaspdir/lock"                         , @vd07.name)
    assert_equal("test/vaspdir/lock-PI"                      , @vd08.name)
    assert_equal("test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3"    , @vd09.name)
    assert_equal("test/vaspdir/next-try00"                   , @vd10.name)
    assert_equal("test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1"    , @vd11.name)
    assert_equal("test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1"    , @vd12.name)
    assert_equal("test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1"    , @vd13.name)
    assert_equal("test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1"    , @vd14.name)
    assert_equal("test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1" , @vd15.name)
  end

  def test_started?
    assert_equal(false, @vd00.started?)
    assert_equal(false, @vd01.started?)
    assert_equal(true , @vd02.started?)
    assert_equal(true , @vd03.started?)
    assert_equal(true , @vd04.started?)
    assert_equal(true , @vd05.started?)
    assert_equal(false, @vd06.started?)
    assert_equal(true , @vd07.started?)
    assert_equal(true , @vd08.started?)
    assert_equal(true , @vd09.started?)
    assert_equal(true , @vd10.started?)
    assert_equal(true , @vd11.started?)
    assert_equal(true , @vd12.started?)
    assert_equal(true , @vd13.started?)
    assert_equal(true , @vd14.started?)
    assert_equal(true , @vd15.started?)
  end

  def test_normal_ended?
    assert_equal(false, @vd00.normal_ended?)
    assert_equal(false, @vd01.normal_ended?)
    assert_equal(false, @vd02.normal_ended?)
    assert_equal(true , @vd03.normal_ended?)
    assert_equal(true , @vd04.normal_ended?)
    assert_equal(true , @vd05.normal_ended?)
    assert_equal(false, @vd06.normal_ended?)
    assert_equal(false, @vd07.normal_ended?)
    assert_equal(false, @vd08.normal_ended?)
    assert_equal(true , @vd09.normal_ended?)
  end

  def test_to_be_continued?
    assert_equal(false, @vd00.to_be_continued?)
    assert_equal(false, @vd01.to_be_continued?)
    assert_equal(false, @vd02.to_be_continued?)
    assert_equal(false, @vd03.to_be_continued?)
    assert_equal(true , @vd04.to_be_continued?)
    assert_equal(true , @vd05.to_be_continued?)
    assert_equal(false, @vd06.to_be_continued?)
    assert_equal(false, @vd07.to_be_continued?)
    assert_equal(false, @vd08.to_be_continued?)
    assert_equal(false, @vd09.to_be_continued?)
    assert_equal(true , @vd10.to_be_continued?)
    assert_equal(false, @vd11.to_be_continued?)
    assert_equal(false, @vd12.to_be_continued?)
    assert_equal(false, @vd13.to_be_continued?)
    assert_equal(false, @vd14.to_be_continued?)
    assert_equal(false, @vd15.to_be_continued?)
  end

  def test_calculate
    assert_raise(VaspDir::LockedError){@vd07.calculate}
    assert_raise(VaspDir::LockedError){@vd08.calculate}

    #
    assert_nothing_raised{@vd00.calculate}
    GENERATED_FILES_VD00.each do |file|
      assert(FileTest.exist?(file), "#{file} not found.")
    end
    assert(FileTest.exist? "test/vaspdir/not-yet-ISIF2/INCAR")
    assert(FileTest.exist? "test/vaspdir/not-yet-ISIF2/KPOINTS")
    assert(FileTest.exist? "test/vaspdir/not-yet-ISIF2/POSCAR")
    assert(FileTest.exist? "test/vaspdir/not-yet-ISIF2/POTCAR")
    #
    io = File.open("test/vaspdir/not-yet-ISIF2/lock", "r")
    lines = io.readlines
    assert_equal("HOST: #{ENV["HOST"]}\n", lines[0])
    assert(/^START: / =~ lines[1])
    assert_equal("STATUS: normal ended.\n", lines[2])

    io.close
    # あとかたづけは teardown にまかせる。
  end

  def test_next
    assert_raise(VaspDir::NotEndedError){@vd00.next}
    assert_raise(VaspDir::NotEndedError){@vd01.next}
    assert_raise(VaspDir::NotEndedError){@vd02.next}
    assert_raise(VaspDir::ConvergedError){@vd03.next}
    assert_raise(VaspDir::NotEndedError){@vd06.next}
    assert_raise(VaspDir::NotEndedError){@vd07.next}
    assert_raise(VaspDir::NotEndedError){@vd08.next}
    assert_raise(VaspDir::ConvergedError){@vd09.next}

    assert_equal(true , FileTest.exist?("test/vaspdir/next-try00"))
    assert_equal(false, FileTest.exist?("test/vaspdir/next-try01"))
    @vd10.next
    assert_equal("test/vaspdir/next-try01", @vd10.name)
    assert_equal(true , FileTest.exist?("test/vaspdir/next-try00"))
    assert_equal(true , FileTest.exist?("test/vaspdir/next-try01"))
    assert_equal(true , FileTest.exist?("test/vaspdir/next-try01/POSCAR"))
    assert_equal(true , FileTest.exist?("test/vaspdir/next-try01/POTCAR"))
    assert_equal(true , FileTest.exist?("test/vaspdir/next-try01/INCAR"))
    assert_equal(true , FileTest.exist?("test/vaspdir/next-try01/KPOINTS"))
    assert_equal(4 , Dir.glob("test/vaspdir/next-try01/*").size)
    #
    poscar_00  = File.open("test/vaspdir/next-try00/POSCAR" ).readlines
    contcar_00 = File.open("test/vaspdir/next-try00/CONTCAR").readlines
    poscar_01  = File.open("test/vaspdir/next-try01/POSCAR" ).readlines
    assert_equal(false, poscar_00  == contcar_00)
    assert_equal(true,  contcar_00 == poscar_01)
    assert_equal(false, poscar_01  == poscar_00)
    # あとかたづけは teardown にまかせる。
  end

  def test_teardown
    # NO TEST
  end

  def test_internal_steps
    assert_equal(18, @vd10.internal_steps)
  end

  def test_external_steps
    assert_equal(2, @vd10.external_steps)
  end

  def test_elapsed_time
    assert_in_delta(126.383, @vd10.elapsed_time)
  end

  def test_outcar
    assert_equal("test/vaspdir/next-try00/OUTCAR", @vd10.outcar[:name])
  end

  def test_contcar
    t = @vd10.contcar
    assert_equal(Cell, t.class)
    assert_in_delta(3.8678456093562040, t.axes[2][2])
    
    assert_raise(Errno::ENOENT){@vd00.contcar}
  end

  def test_incar
    t = @vd10.incar
    assert_equal("400", t["ENCUT"])
  end

  def test_kpoints
    t = @vd10.kpoints
    assert_equal("Automatic mesh", t[:comment])
  end

  #undef test_next

end