crystalcell 0.0.6 → 0.1.0

data/lib/crystalcell/povray.rb

@@ -1,4 +1,4 @@
-module CrystalCell::Povray; end
+class CrystalCell::Povray; end
 
 require 'crystalcell/povray/camera.rb'
 require 'crystalcell/povray/cell.rb'
@@ -6,3 +6,191 @@ require 'crystalcell/povray/cylinder.rb'
 require 'crystalcell/povray/element.rb'
 require 'crystalcell/povray/sphere.rb'
 require 'crystalcell/povray/triangle.rb'
+require 'crystalcell/povray/tetrahedron.rb'
+require 'crystalcell/povray/color.rb'
+
+
+DEFAULT_ENVIRONMENTS = [
+  'background {color rgb<1,1,1>}',
+  'light_source{ < 4, 1, 4 > color <1,1,1> parallel point_at 0 }',
+  'default{ texture{ finish{ ambient 0.4 phong 1.0 phong_size 10 } } }',
+]
+
+class CrystalCell::Povray
+  attr_reader :camera, :environments, :cell, :axes
+  
+  # camera_info indicates hash with the keys of camera info,
+  #   e.g., :camera_type, :location, :direction, :right, :sky, :up, :look_at
+  def initialize(cell: , camera_info: {}, environments: DEFAULT_ENVIRONMENTS)
+    @camera      = CrystalCell::Povray::Camera.new(camera_info)
+    @environments = environments
+    @cell = cell.to_povcell
+    @axes = nil
+    @objects     = []
+
+    ## @camera.look_at
+    center = Mageo::Vector3D[0.0, 0.0, 0.0]
+    @cell.axes.each { |axis| center += axis.to_v3d * 0.5 }
+    @camera.look_at = center
+  end
+
+  # Reset camera location, using relative vector from center of cell
+  # with cartesian coordinate.
+  def camera_location(vector)
+    look_at = @camera.look_at || [0.0, 0.0, 0.0]
+    look_at = Mageo::Vector3D[*look_at]
+    @camera.location = look_at + Mageo::Vector3D[*vector]
+  end
+
+  # Reset camera location, using relative vector from center of cell
+  # with polar coordinates.
+  # theta and phi is set as degree. Not radian.
+  def camera_location_polar(r, theta, phi)
+    theta =  (2.0 * Math::PI) * theta / 360.0
+    phi   =  (2.0 * Math::PI) * phi   / 360.0
+
+    look_at = Mageo::Vector3D[*(@camera.look_at || [0.0, 0.0, 0.0])]
+    polar = Mageo::Polar3D.new(r, theta, phi)
+    @camera.location = look_at + polar.to_v3d
+  end
+
+  #
+  def shoot_snap(basename)
+    povfile = basename + '.pov'
+    File.open(povfile, 'w') do |io|
+      dump(io)
+    end
+    system "povray -D #{povfile}"
+  end
+
+  # shoot 4 angles and unite.
+  def shoot_4in1(basename, remain_intermediate = false)
+    name_x = basename + '-x'
+    name_y = basename + '-y'
+    name_z = basename + '-z'
+    name_w = basename + '-w'
+    name_zw = basename + '-zw'
+    name_xy = basename + '-xy'
+    #name_zwxy = basename + '-zwxy'
+    name_zwxy = basename
+
+    r = 10.0
+    povray = Marshal.load(Marshal.dump(self))
+    povray.camera_location_polar(r, 0, 0)   ; povray.shoot_snap( name_z )
+    povray.camera_location_polar(r, 90, 0)  ; povray.shoot_snap( name_x )
+    povray.camera_location_polar(r, 90, 90) ; povray.shoot_snap( name_y )
+    #povray.camera_location_polar(r, 80, 70) ; povray.shoot_snap( name_w )
+    povray.camera_location_polar(r, 120, 230) ; povray.shoot_snap( name_w )
+
+    system "convert +append #{name_z }.png #{name_w }.png #{name_zw  }.png"
+    system "convert +append #{name_x }.png #{name_y }.png #{name_xy  }.png"
+    system "convert -append #{name_zw}.png #{name_xy}.png #{name_zwxy}.png"
+
+    #中間ファイルを消す。
+    unless remain_intermediate
+      [
+        name_w + '.png',
+        name_w + '.pov',
+        name_x + '.png',
+        name_x + '.pov',
+        name_y + '.png',
+        name_y + '.pov',
+        name_z + '.png',
+        name_z + '.pov',
+        name_zw + '.png',
+        name_xy + '.png',
+      ].each do |file|
+        FileUtils.rm file if FileTest.exist? file
+      end
+    end
+  end
+
+  ##lattice を描くか
+  #def set_lattice(axes)
+  #end
+
+  #def set_atoms(cell)
+  #end
+
+  # 3つの棒で座標軸を配置
+  # x, y, z 軸をそれぞれ red, green, blue で表示。
+  def set_axes(position)
+    #o = Vector3D[-1.0, -1.0, 0.0]
+    o = Mageo::Vector3D[*position]
+    x = Mageo::Vector3D[1.0, 0.0, 0.0]
+    y = Mageo::Vector3D[0.0, 1.0, 0.0]
+    z = Mageo::Vector3D[0.0, 0.0, 1.0]
+    ox = o + x
+    oy = o + y
+    oz = o + z
+
+    @axes = [
+      CrystalCell::Povray::Cylinder.new(o, ox, 0.04, x),
+      CrystalCell::Povray::Cylinder.new(o, oy, 0.04, y),
+      CrystalCell::Povray::Cylinder.new(o, oz, 0.04, z)
+    ]
+  end
+
+  # object should have dump method
+  def add(object)
+    @objects << object
+  end
+
+  def dump(io)
+    @camera.dump(io)
+    @environments.each { |item| io.puts item }
+    @cell.dump(io)
+
+    if @axes
+      @axes.each {|axis| axis.dump(io)}
+    end
+    
+    @objects.each { |obj| obj.dump(io) }
+  end
+
+end
+
+#  def test_gen_image
+#    TODO
+#  end
+#
+#  def test_gen_4in1_images
+#    TODO
+#  end
+#
+#  def test_additional
+#    c10 = CrystalCell::Povray::Camera.new(
+#      camera_type: 'orthographic',
+#      location:     [   3.0, 3.0, 3.0 ],
+#      look_at:      [   0.0, 0.0, 0.0 ],
+#      sky:          [   0.0, 0.0, 1.0 ],
+#      right:        [ -1.00, 0.0, 0.0 ],
+#      up:           [   0.0, 1.0, 0.0 ],
+#      angle:        68,
+#      additions:[ "background {color rgb<1,1,1>}",
+#                  "light_source{ < 4, 1, 4 > color <1,1,1> parallel point_at 0 }",
+#                  "default{ texture{ finish{ ambient 0.4 phong 1.0 phong_size 10 } } }",
+#                ]
+#    )
+#    correct = <<HERE
+#camera {
+#  orthographic
+#  location <3.000000, 3.000000, 3.000000 >
+#  sky      <0.000000, 0.000000, 1.000000 >
+#  right    <-1.000000, 0.000000, 0.000000 >
+#  up       <0.000000, 1.000000, 0.000000 >
+#  angle    68.000000
+#  look_at  <0.000000, 0.000000, 0.000000 >
+#}
+#HERE
+#    io = StringIO.new
+#    c10.dump(io)
+#    io.rewind
+#    result = io.read
+#    assert_equal(correct, result)
+#  end
+
+  #bond を描くか
+  #def set_bond(cell)
+  #end
+

data/test/povray/test_camera.rb

@@ -9,38 +9,149 @@ require "helper"
 class TC_Camera < Test::Unit::TestCase
   def setup
     @c00 = CrystalCell::Povray::Camera.new(
-      orthographic: true,
+      camera_type: 'orthographic',
       location:     [   3.0, 3.0, 3.0 ],
-      look_at:      [   0.0, 0.0, 0.0 ],
       sky:          [   0.0, 0.0, 1.0 ],
       right:        [ -1.00, 0.0, 0.0 ],
       up:           [   0.0, 1.0, 0.0 ],
-      angle:        68
+      angle:        68,
+      look_at:      [   0.0, 0.0, 0.0 ],
     )
   end
 
   def test_initialize
     hash = {
-      orthographic: true,
+      #camera_type: 'orthographic',
+      location:     [   3.0, 3.0, 3.0 ],
+      sky:          [   0.0, 0.0, 1.0 ],
+      right:        [ -1.00, 0.0, 0.0 ],
+      up:           [   0.0, 1.0, 0.0 ],
+      angle:        68,
+      look_at:      [   0.0, 0.0, 0.0 ],
+    }
+    c01 = CrystalCell::Povray::Camera.new(hash)
+    assert_equal( nil     , c01.camera_type)
+    assert_equal( [   3.0, 3.0, 3.0 ], c01.location    )
+    assert_equal( [   0.0, 0.0, 0.0 ], c01.look_at     )
+    assert_equal( [   0.0, 0.0, 1.0 ], c01.sky         )
+    assert_equal( [ -1.00, 0.0, 0.0 ], c01.right       )
+    assert_equal( [   0.0, 1.0, 0.0 ], c01.up          )
+    assert_equal( 68                 , c01.angle       )
+
+    hash = {
+      camera_type: 'orthographic',
+      #location:     [   3.0, 3.0, 3.0 ],
+      sky:          [   0.0, 0.0, 1.0 ],
+      right:        [ -1.00, 0.0, 0.0 ],
+      up:           [   0.0, 1.0, 0.0 ],
+      angle:        68,
+      look_at:      [   0.0, 0.0, 0.0 ],
+    }
+    c01 = CrystalCell::Povray::Camera.new(hash)
+    assert_equal( 'orthographic'     , c01.camera_type)
+    assert_equal( nil, c01.location    )
+    assert_equal( [   0.0, 0.0, 0.0 ], c01.look_at     )
+    assert_equal( [   0.0, 0.0, 1.0 ], c01.sky         )
+    assert_equal( [ -1.00, 0.0, 0.0 ], c01.right       )
+    assert_equal( [   0.0, 1.0, 0.0 ], c01.up          )
+    assert_equal( 68                 , c01.angle       )
+
+    hash = {
+      camera_type: 'orthographic',
+      location:     [   3.0, 3.0, 3.0 ],
+      #sky:          [   0.0, 0.0, 1.0 ],
+      right:        [ -1.00, 0.0, 0.0 ],
+      up:           [   0.0, 1.0, 0.0 ],
+      angle:        68,
+      look_at:      [   0.0, 0.0, 0.0 ],
+    }
+    c01 = CrystalCell::Povray::Camera.new(hash)
+    assert_equal( 'orthographic'     , c01.camera_type)
+    assert_equal( [   3.0, 3.0, 3.0 ], c01.location    )
+    assert_equal( [   0.0, 0.0, 0.0 ], c01.look_at     )
+    assert_equal( [   0.0, 0.0, 1.0], c01.sky         )
+    assert_equal( [  -1.0, 0.0, 0.0 ], c01.right       )
+    assert_equal( [   0.0, 1.0, 0.0 ], c01.up          )
+    assert_equal( 68                 , c01.angle       )
+
+    hash = {
+      camera_type: 'orthographic',
+      location:     [   3.0, 3.0, 3.0 ],
+      sky:          [   0.0, 0.0, 1.0 ],
+      #right:        [ -1.00, 0.0, 0.0 ],
+      up:           [   0.0, 1.0, 0.0 ],
+      angle:        68,
+      look_at:      [   0.0, 0.0, 0.0 ],
+    }
+    c01 = CrystalCell::Povray::Camera.new(hash)
+    assert_equal( 'orthographic'     , c01.camera_type)
+    assert_equal( [   3.0, 3.0, 3.0 ], c01.location    )
+    assert_equal( [   0.0, 0.0, 0.0 ], c01.look_at     )
+    assert_equal( [   0.0, 0.0, 1.0 ], c01.sky         )
+    assert_equal( [  -1.33,0.0, 0.0], c01.right       )
+    assert_equal( [   0.0, 1.0, 0.0 ], c01.up          )
+    assert_equal( 68                 , c01.angle       )
+
+    hash = {
+      camera_type: 'orthographic',
+      location:     [   3.0, 3.0, 3.0 ],
+      sky:          [   0.0, 0.0, 1.0 ],
+      right:        [ -1.00, 0.0, 0.0 ],
+      #up:           [   0.0, 1.0, 0.0 ],
+      angle:        68,
+      look_at:      [   0.0, 0.0, 0.0 ],
+    }
+    c01 = CrystalCell::Povray::Camera.new(hash)
+    assert_equal( 'orthographic'     , c01.camera_type)
+    assert_equal( [   3.0, 3.0, 3.0 ], c01.location    )
+    assert_equal( [   0.0, 0.0, 0.0 ], c01.look_at     )
+    assert_equal( [   0.0, 0.0, 1.0 ], c01.sky         )
+    assert_equal( [ -1.00, 0.0, 0.0 ], c01.right       )
+    assert_equal( nil                , c01.up          )
+    assert_equal( 68                 , c01.angle       )
+
+    hash = {
+      camera_type: 'orthographic',
       location:     [   3.0, 3.0, 3.0 ],
+      sky:          [   0.0, 0.0, 1.0 ],
+      right:        [ -1.00, 0.0, 0.0 ],
+      up:           [   0.0, 1.0, 0.0 ],
+      #angle:        68,
       look_at:      [   0.0, 0.0, 0.0 ],
+    }
+    c01 = CrystalCell::Povray::Camera.new(hash)
+    assert_equal( 'orthographic'     , c01.camera_type)
+    assert_equal( [   3.0, 3.0, 3.0 ], c01.location    )
+    assert_equal( [   0.0, 0.0, 0.0 ], c01.look_at     )
+    assert_equal( [   0.0, 0.0, 1.0 ], c01.sky         )
+    assert_equal( [ -1.00, 0.0, 0.0 ], c01.right       )
+    assert_equal( [   0.0, 1.0, 0.0 ], c01.up          )
+    assert_equal( nil                , c01.angle       )
+
+    hash = {
+      camera_type: 'orthographic',
+      location:     [   3.0, 3.0, 3.0 ],
       sky:          [   0.0, 0.0, 1.0 ],
       right:        [ -1.00, 0.0, 0.0 ],
       up:           [   0.0, 1.0, 0.0 ],
-      angle:        68
+      angle:        68,
+      #look_at:      [   0.0, 0.0, 0.0 ],
     }
-    @c01 = CrystalCell::Povray::Camera.new(hash)
-    assert_equal( true               , @c01.orthographic)
-    assert_equal( [   3.0, 3.0, 3.0 ], @c01.location    )
-    assert_equal( [   0.0, 0.0, 0.0 ], @c01.look_at     )
-    assert_equal( [   0.0, 0.0, 1.0 ], @c01.sky         )
-    assert_equal( [ -1.00, 0.0, 0.0 ], @c01.right       )
-    assert_equal( [   0.0, 1.0, 0.0 ], @c01.up          )
-    assert_equal( 68                 , @c01.angle       )
+    c01 = CrystalCell::Povray::Camera.new(hash)
+    assert_equal( 'orthographic'     , c01.camera_type)
+    assert_equal( [   3.0, 3.0, 3.0 ], c01.location    )
+    assert_equal( [   0.0, 0.0, 1.0 ], c01.sky         )
+    assert_equal( [ -1.00, 0.0, 0.0 ], c01.right       )
+    assert_equal( [   0.0, 1.0, 0.0 ], c01.up          )
+    assert_equal( 68                 , c01.angle       )
+    assert_equal( nil                , c01.look_at     )
+
+    assert_nothing_raised(){ CrystalCell::Povray::Camera.new({})}
+    assert_nothing_raised(){ CrystalCell::Povray::Camera.new}
   end
 
   def test_accessor
-    assert_equal( true               , @c00.orthographic)
+    assert_equal( 'orthographic'     , @c00.camera_type)
     assert_equal( [   3.0, 3.0, 3.0 ], @c00.location    )
     assert_equal( [   0.0, 0.0, 0.0 ], @c00.look_at     )
     assert_equal( [   0.0, 0.0, 1.0 ], @c00.sky         )
@@ -48,62 +159,87 @@ class TC_Camera < Test::Unit::TestCase
     assert_equal( [   0.0, 1.0, 0.0 ], @c00.up          )
     assert_equal( 68                 , @c00.angle       )
 
-    @c00.orthographic = false
-    assert_equal( false              , @c00.orthographic)
+    @c00.camera_type = 'orthographic'
+    assert_equal( 'orthographic'              , @c00.camera_type)
   end
 
-  def test_additional
+  def test_dump
+    ############################################################
     c10 = CrystalCell::Povray::Camera.new(
-      orthographic: true,
+      camera_type: 'orthographic',
       location:     [   3.0, 3.0, 3.0 ],
-      look_at:      [   0.0, 0.0, 0.0 ],
-      sky:          [   0.0, 0.0, 1.0 ],
       right:        [ -1.00, 0.0, 0.0 ],
       up:           [   0.0, 1.0, 0.0 ],
+      sky:          [   0.0, 0.0, 1.0 ],
       angle:        68,
-      additions:[ "background {color rgb<1,1,1>}",
-                  "light_source{ < 4, 1, 4 > color <1,1,1> parallel point_at 0 }",
-                  "default{ texture{ finish{ ambient 0.4 phong 1.0 phong_size 10 } } }",
-                ]
+      look_at:      [   0.0, 0.0, 0.0 ],
     )
     correct = <<HERE
 camera {
   orthographic
-  location <3.000000, 3.000000, 3.000000 >
-  look_at  <0.000000, 0.000000, 0.000000 >
-  sky      <0.000000, 0.000000, 1.000000 >
-  right    <-1.000000, 0.000000, 0.000000 >
-  up       <0.000000, 1.000000, 0.000000 >
-  angle    68.000000
+  location  <3.000000, 3.000000, 3.000000 >
+  right     <-1.000000, 0.000000, 0.000000 >
+  up        <0.000000, 1.000000, 0.000000 >
+  sky       <0.000000, 0.000000, 1.000000 >
+  angle     68.000000
+  look_at   <0.000000, 0.000000, 0.000000 >
 }
-background {color rgb<1,1,1>}
-light_source{ < 4, 1, 4 > color <1,1,1> parallel point_at 0 }
-default{ texture{ finish{ ambient 0.4 phong 1.0 phong_size 10 } } }
 HERE
     io = StringIO.new
     c10.dump(io)
     io.rewind
     result = io.read
     assert_equal(correct, result)
-  end
 
-  def test_dump
+    ## no angle ##########################################################
+    c10 = CrystalCell::Povray::Camera.new(
+      camera_type: 'orthographic',
+      location:     [   3.0, 3.0, 3.0 ],
+      sky:          [   0.0, 0.0, 1.0 ],
+      right:        [ -1.00, 0.0, 0.0 ],
+      up:           [   0.0, 1.0, 0.0 ],
+      look_at:      [   0.0, 0.0, 0.0 ],
+    )
     correct = <<HERE
 camera {
   orthographic
-  location <3.000000, 3.000000, 3.000000 >
-  look_at  <0.000000, 0.000000, 0.000000 >
-  sky      <0.000000, 0.000000, 1.000000 >
-  right    <-1.000000, 0.000000, 0.000000 >
-  up       <0.000000, 1.000000, 0.000000 >
-  angle    68.000000
+  location  <3.000000, 3.000000, 3.000000 >
+  right     <-1.000000, 0.000000, 0.000000 >
+  up        <0.000000, 1.000000, 0.000000 >
+  sky       <0.000000, 0.000000, 1.000000 >
+  look_at   <0.000000, 0.000000, 0.000000 >
 }
 HERE
     io = StringIO.new
-    @c00.dump(io)
+    c10.dump(io)
     io.rewind
     result = io.read
     assert_equal(correct, result)
+
+    ## no ortho ##########################################################
+    c10 = CrystalCell::Povray::Camera.new(
+      location:     [   3.0, 3.0, 3.0 ],
+      sky:          [   0.0, 0.0, 1.0 ],
+      right:        [ -1.00, 0.0, 0.0 ],
+      up:           [   0.0, 1.0, 0.0 ],
+      look_at:      [   0.0, 0.0, 0.0 ],
+    )
+    correct = <<HERE
+camera {
+  location  <3.000000, 3.000000, 3.000000 >
+  right     <-1.000000, 0.000000, 0.000000 >
+  up        <0.000000, 1.000000, 0.000000 >
+  sky       <0.000000, 0.000000, 1.000000 >
+  look_at   <0.000000, 0.000000, 0.000000 >
+}
+HERE
+    io = StringIO.new
+    c10.dump(io)
+    io.rewind
+    result = io.read
+    assert_equal(correct, result)
+    ############################################################
   end
 
 end
+

data/test/povray/test_cell.rb

@@ -15,32 +15,32 @@ class TC_Povray_Sphere < Test::Unit::TestCase
   end
 end
 
-class TC_Povray_Cylinder < Test::Unit::TestCase
-  def setup
-    @c00 = Mageo::Cylinder.new([[ 1.0, 2.0, 3.0 ], [4.0, 5.0, 6.0]], 2.0)
-  end
-
-  def test_to_pov
-    assert_equal(
-      "object { cylinder{ < 1.0000,  2.0000,  3.0000>, < 4.0000,  5.0000,  6.0000>,  2.0000 } pigment { color rgb <0.30, 0.60, 0.90> } }",
-      @c00.to_pov([0.3, 0.6, 0.9]) )
-  end
-end
-
-class TC_Povray_Triangle < Test::Unit::TestCase
-  def setup
-    @t00 = Mageo::Triangle.new(
-      [[ 1.0, 2.0, 3.0 ], [4.0, 5.0, 6.0], [0.3, 0.6, 0.9 ]]
-    )
-  end
-
-  def test_to_pov
-    assert_equal(
-      "polygon { 4, < 1.0000,  2.0000,  3.0000>, < 4.0000,  5.0000,  6.0000>, < 0.3000,  0.6000,  0.9000>, < 1.0000,  2.0000,  3.0000> pigment { color rgb <1, 0, 0> } }",
-      @t00.to_pov([0.3, 0.6, 0.9])
-    )
-  end
-end
+#class TC_Povray_Cylinder < Test::Unit::TestCase
+#  def setup
+#    @c00 = Mageo::Cylinder.new([[ 1.0, 2.0, 3.0 ], [4.0, 5.0, 6.0]], 2.0)
+#  end
+#
+#  def test_to_pov
+#    assert_equal(
+#      "object { cylinder{ < 1.0000,  2.0000,  3.0000>, < 4.0000,  5.0000,  6.0000>,  2.0000 } pigment { color rgb <0.30, 0.60, 0.90> } }",
+#      @c00.to_pov([0.3, 0.6, 0.9]) )
+#  end
+#end
+#
+#class TC_Povray_Triangle < Test::Unit::TestCase
+#  def setup
+#    @t00 = Mageo::Triangle.new(
+#      [[ 1.0, 2.0, 3.0 ], [4.0, 5.0, 6.0], [0.3, 0.6, 0.9 ]]
+#    )
+#  end
+#
+#  def test_to_pov
+#    assert_equal(
+#      "polygon { 4, < 1.0000,  2.0000,  3.0000>, < 4.0000,  5.0000,  6.0000>, < 0.3000,  0.6000,  0.9000>, < 1.0000,  2.0000,  3.0000> pigment { color rgb <1, 0, 0> } }",
+#      @t00.to_pov([0.3, 0.6, 0.9])
+#    )
+#  end
+#end
 
 class CrystalCell::Povray::Cell
 #public :atoms_to_povs, :bonds_to_povs, :lattice_to_povs
@@ -118,18 +118,18 @@ class TC_Povray_Cell < Test::Unit::TestCase
 
   def test_lattice_to_povs
     corrects = [
-      "object { cylinder{ < 0.0000,  0.0000,  0.0000>, < 0.0000,  0.0000,  2.0000>,  0.1000 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
-      "object { cylinder{ < 0.0000,  2.0000,  0.0000>, < 0.0000,  2.0000,  2.0000>,  0.1000 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
-      "object { cylinder{ < 2.0000,  0.0000,  0.0000>, < 2.0000,  0.0000,  2.0000>,  0.1000 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
-      "object { cylinder{ < 2.0000,  2.0000,  0.0000>, < 2.0000,  2.0000,  2.0000>,  0.1000 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
-      "object { cylinder{ < 0.0000,  0.0000,  0.0000>, < 0.0000,  2.0000,  0.0000>,  0.1000 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
-      "object { cylinder{ < 2.0000,  0.0000,  0.0000>, < 2.0000,  2.0000,  0.0000>,  0.1000 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
-      "object { cylinder{ < 0.0000,  0.0000,  2.0000>, < 0.0000,  2.0000,  2.0000>,  0.1000 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
-      "object { cylinder{ < 2.0000,  0.0000,  2.0000>, < 2.0000,  2.0000,  2.0000>,  0.1000 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
-      "object { cylinder{ < 0.0000,  0.0000,  0.0000>, < 2.0000,  0.0000,  0.0000>,  0.1000 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
-      "object { cylinder{ < 0.0000,  0.0000,  2.0000>, < 2.0000,  0.0000,  2.0000>,  0.1000 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
-      "object { cylinder{ < 0.0000,  2.0000,  0.0000>, < 2.0000,  2.0000,  0.0000>,  0.1000 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
-      "object { cylinder{ < 0.0000,  2.0000,  2.0000>, < 2.0000,  2.0000,  2.0000>,  0.1000 } pigment { color rgb <0.50, 0.50, 0.50> } }\n" ,
+      "object { cylinder{ < 0.0000,  0.0000,  0.0000>, < 0.0000,  0.0000,  2.0000>,  0.0200 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
+      "object { cylinder{ < 0.0000,  2.0000,  0.0000>, < 0.0000,  2.0000,  2.0000>,  0.0200 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
+      "object { cylinder{ < 2.0000,  0.0000,  0.0000>, < 2.0000,  0.0000,  2.0000>,  0.0200 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
+      "object { cylinder{ < 2.0000,  2.0000,  0.0000>, < 2.0000,  2.0000,  2.0000>,  0.0200 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
+      "object { cylinder{ < 0.0000,  0.0000,  0.0000>, < 0.0000,  2.0000,  0.0000>,  0.0200 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
+      "object { cylinder{ < 2.0000,  0.0000,  0.0000>, < 2.0000,  2.0000,  0.0000>,  0.0200 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
+      "object { cylinder{ < 0.0000,  0.0000,  2.0000>, < 0.0000,  2.0000,  2.0000>,  0.0200 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
+      "object { cylinder{ < 2.0000,  0.0000,  2.0000>, < 2.0000,  2.0000,  2.0000>,  0.0200 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
+      "object { cylinder{ < 0.0000,  0.0000,  0.0000>, < 2.0000,  0.0000,  0.0000>,  0.0200 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
+      "object { cylinder{ < 0.0000,  0.0000,  2.0000>, < 2.0000,  0.0000,  2.0000>,  0.0200 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
+      "object { cylinder{ < 0.0000,  2.0000,  0.0000>, < 2.0000,  2.0000,  0.0000>,  0.0200 } pigment { color rgb <0.50, 0.50, 0.50> } }\n",
+      "object { cylinder{ < 0.0000,  2.0000,  2.0000>, < 2.0000,  2.0000,  2.0000>,  0.0200 } pigment { color rgb <0.50, 0.50, 0.50> } }\n" ,
     ]
     t = @c00.lattice_to_povs
     corrects.each_with_index do |correct, index|

data/test/povray/test_colors.rb

@@ -0,0 +1,106 @@
+#! /usr/bin/env ruby
+# coding: utf-8
+
+require "pp"
+require "helper"
+#require "test/unit"
+#require "pkg/klass.rb"
+
+$tolerance = 1.0E-10
+
+class TC_Color < Test::Unit::TestCase
+  #def setup
+  #  @k = Color.new
+  #end
+  #
+  COLOR = CrystalCell::Povray::Color
+  PI = Math::PI
+
+  def test_self_circle_color
+    results = COLOR.circle_color((2.0 * PI) * 0.0)
+    assert_in_delta(1.0, results[0], $tolerance)
+    assert_in_delta(0.0, results[1], $tolerance)
+    assert_in_delta(0.0, results[2], $tolerance)
+
+    results = COLOR.circle_color((2.0 * PI) * (1.0/6.0))
+    assert_in_delta(1.0, results[0], $tolerance)
+    assert_in_delta(1.0, results[1], $tolerance)
+    assert_in_delta(0.0, results[2], $tolerance)
+
+    results = COLOR.circle_color((2.0 * PI) * (2.0/6.0))
+    assert_in_delta(0.0, results[0], $tolerance)
+    assert_in_delta(1.0, results[1], $tolerance)
+    assert_in_delta(0.0, results[2], $tolerance)
+
+    results = COLOR.circle_color((2.0 * PI) * (3.0/6.0))
+    assert_in_delta(0.0, results[0], $tolerance)
+    assert_in_delta(1.0, results[1], $tolerance)
+    assert_in_delta(1.0, results[2], $tolerance)
+
+    results = COLOR.circle_color((2.0 * PI) * (4.0/6.0))
+    assert_in_delta(0.0, results[0], $tolerance)
+    assert_in_delta(0.0, results[1], $tolerance)
+    assert_in_delta(1.0, results[2], $tolerance)
+
+    results = COLOR.circle_color((2.0 * PI) * (5.0/6.0))
+    assert_in_delta(1.0, results[0], $tolerance)
+    assert_in_delta(0.0, results[1], $tolerance)
+    assert_in_delta(1.0, results[2], $tolerance)
+
+    results = COLOR.circle_color(2.0 * PI)
+    assert_in_delta(1.0, results[0], $tolerance)
+    assert_in_delta(0.0, results[1], $tolerance)
+    assert_in_delta(0.0, results[2], $tolerance)
+
+
+    results = COLOR.circle_color((2.0 * PI) * (1.0/12.0))
+    assert_in_delta(1.0, results[0], $tolerance)
+    assert_in_delta(0.5, results[1], $tolerance)
+    assert_in_delta(0.0, results[2], $tolerance)
+
+    # out of range , 0 <= theta < pi
+    results = COLOR.circle_color((2.0 * PI) * (9.0/6.0))
+    assert_in_delta(0.0, results[0], $tolerance)
+    assert_in_delta(1.0, results[1], $tolerance)
+    assert_in_delta(1.0, results[2], $tolerance)
+
+    results = COLOR.circle_color((2.0 * PI) * (-3.0/6.0))
+    assert_in_delta(0.0, results[0], $tolerance)
+    assert_in_delta(1.0, results[1], $tolerance)
+    assert_in_delta(1.0, results[2], $tolerance)
+  end
+
+  def test_trapezoidal_wave
+    assert_in_delta(0.0, COLOR.trapezoidal_wave(( 0.0/12.0)*2.0*PI, 0.0), $tolerance)
+    assert_in_delta(0.5, COLOR.trapezoidal_wave(( 1.0/12.0)*2.0*PI, 0.0), $tolerance)
+    assert_in_delta(1.0, COLOR.trapezoidal_wave(( 2.0/12.0)*2.0*PI, 0.0), $tolerance)
+    assert_in_delta(1.0, COLOR.trapezoidal_wave(( 3.0/12.0)*2.0*PI, 0.0), $tolerance)
+    assert_in_delta(1.0, COLOR.trapezoidal_wave(( 4.0/12.0)*2.0*PI, 0.0), $tolerance)
+    assert_in_delta(1.0, COLOR.trapezoidal_wave(( 5.0/12.0)*2.0*PI, 0.0), $tolerance)
+    assert_in_delta(1.0, COLOR.trapezoidal_wave(( 6.0/12.0)*2.0*PI, 0.0), $tolerance)
+    assert_in_delta(0.5, COLOR.trapezoidal_wave(( 7.0/12.0)*2.0*PI, 0.0), $tolerance)
+    assert_in_delta(0.0, COLOR.trapezoidal_wave(( 8.0/12.0)*2.0*PI, 0.0), $tolerance)
+    assert_in_delta(0.0, COLOR.trapezoidal_wave(( 9.0/12.0)*2.0*PI, 0.0), $tolerance)
+    assert_in_delta(0.0, COLOR.trapezoidal_wave((10.0/12.0)*2.0*PI, 0.0), $tolerance)
+    assert_in_delta(0.0, COLOR.trapezoidal_wave((11.0/12.0)*2.0*PI, 0.0), $tolerance)
+
+    assert_in_delta(1.0, COLOR.trapezoidal_wave(( 0.0/12.0)*2.0*PI, PI), $tolerance)
+    assert_in_delta(0.5, COLOR.trapezoidal_wave(( 1.0/12.0)*2.0*PI, PI), $tolerance)
+    assert_in_delta(0.0, COLOR.trapezoidal_wave(( 2.0/12.0)*2.0*PI, PI), $tolerance)
+    assert_in_delta(0.0, COLOR.trapezoidal_wave(( 3.0/12.0)*2.0*PI, PI), $tolerance)
+    assert_in_delta(0.0, COLOR.trapezoidal_wave(( 4.0/12.0)*2.0*PI, PI), $tolerance)
+    assert_in_delta(0.0, COLOR.trapezoidal_wave(( 5.0/12.0)*2.0*PI, PI), $tolerance)
+    assert_in_delta(0.0, COLOR.trapezoidal_wave(( 6.0/12.0)*2.0*PI, PI), $tolerance)
+    assert_in_delta(0.5, COLOR.trapezoidal_wave(( 7.0/12.0)*2.0*PI, PI), $tolerance)
+    assert_in_delta(1.0, COLOR.trapezoidal_wave(( 8.0/12.0)*2.0*PI, PI), $tolerance)
+    assert_in_delta(1.0, COLOR.trapezoidal_wave(( 9.0/12.0)*2.0*PI, PI), $tolerance)
+    assert_in_delta(1.0, COLOR.trapezoidal_wave((10.0/12.0)*2.0*PI, PI), $tolerance)
+    assert_in_delta(1.0, COLOR.trapezoidal_wave((11.0/12.0)*2.0*PI, PI), $tolerance)
+
+    assert_in_delta(1.0, COLOR.trapezoidal_wave((-6.0/12.0)*2.0*PI, 0.0), $tolerance)
+    assert_in_delta(1.0, COLOR.trapezoidal_wave((18.0/12.0)*2.0*PI, 0.0), $tolerance)
+  end
+end
+
+#! /usr/bin/env ruby # coding: utf-8
+