crystalcell 0.0.6 → 0.1.0

data/test/povray/test_cylinder.rb

@@ -0,0 +1,29 @@
+#! /usr/bin/env ruby
+# coding: utf-8
+
+require "pp"
+require "helper"
+#require "test/unit"
+#require "pkg/klass.rb"
+
+class TC_Cylinder < Test::Unit::TestCase
+  def setup
+    @c00 = CrystalCell::Povray::Cylinder.new([1.0, 2.0, 3.0], [4.0, 6.0, 8.0], 0.5 , [0.25, 0.5, 0.75])
+  end
+
+  def test_initialize
+    assert_equal(Mageo::Vector3D[1.0, 2.0, 3.0], @c00.positions[0])
+    assert_equal(Mageo::Vector3D[4.0, 6.0, 8.0], @c00.positions[1])
+    assert_equal([0.25, 0.5, 0.75], @c00.color)
+  end
+
+  def test_to_pov
+    assert_equal(
+      "object { cylinder{ < 1.0000,  2.0000,  3.0000>, < 4.0000,  6.0000,  8.0000>,  0.5000 } pigment { color rgb <0.25, 0.50, 0.75> } }",
+      @c00.to_pov
+    )
+  end
+
+end
+
+

data/test/povray/test_tetrahedron.rb

@@ -0,0 +1,47 @@
+#! /usr/bin/env ruby
+# coding: utf-8
+
+require "pp"
+require "helper"
+#require "test/unit"
+#require "pkg/klass.rb"
+
+class TC_Tetrahedron < Test::Unit::TestCase
+  def setup
+    @t00 = CrystalCell::Povray::Tetrahedron.new(
+      [0.0, 0.0, 0.0],
+      [1.0, 1.0, 0.0],
+      [0.0, 1.0, 1.0],
+      [1.0, 0.0, 1.0],
+      [0.25, 0.5, 0.75])
+  end
+
+  def test_to_pov
+    #VERTEX_INDICES_OF_TRIANGLES = [ [ 0, 1, 2 ], [ 1, 2, 3 ], [ 2, 3, 0 ], [ 3, 0, 1 ] ]
+    correct = [
+      "triangle{<0.000000,0.000000,0.000000>,<1.000000,1.000000,0.000000>,<0.000000,1.000000,1.000000> pigment {color rgb<0.250000,0.500000,0.750000>}}",
+      "triangle{<1.000000,1.000000,0.000000>,<0.000000,1.000000,1.000000>,<1.000000,0.000000,1.000000> pigment {color rgb<0.250000,0.500000,0.750000>}}",
+      "triangle{<0.000000,1.000000,1.000000>,<1.000000,0.000000,1.000000>,<0.000000,0.000000,0.000000> pigment {color rgb<0.250000,0.500000,0.750000>}}",
+      "triangle{<1.000000,0.000000,1.000000>,<0.000000,0.000000,0.000000>,<1.000000,1.000000,0.000000> pigment {color rgb<0.250000,0.500000,0.750000>}}",
+    ].join("\n")
+    assert_equal(
+      correct,
+      @t00.to_pov
+    )
+
+    @t00.transmit = 0.5
+    correct = [
+      "triangle{<0.000000,0.000000,0.000000>,<1.000000,1.000000,0.000000>,<0.000000,1.000000,1.000000> pigment {color rgb<0.250000,0.500000,0.750000> transmit 0.500000}}",
+      "triangle{<1.000000,1.000000,0.000000>,<0.000000,1.000000,1.000000>,<1.000000,0.000000,1.000000> pigment {color rgb<0.250000,0.500000,0.750000> transmit 0.500000}}",
+      "triangle{<0.000000,1.000000,1.000000>,<1.000000,0.000000,1.000000>,<0.000000,0.000000,0.000000> pigment {color rgb<0.250000,0.500000,0.750000> transmit 0.500000}}",
+      "triangle{<1.000000,0.000000,1.000000>,<0.000000,0.000000,0.000000>,<1.000000,1.000000,0.000000> pigment {color rgb<0.250000,0.500000,0.750000> transmit 0.500000}}",
+    ].join("\n")
+    assert_equal(
+      correct,
+      @t00.to_pov
+    )
+  end
+
+end
+
+

data/test/povray/test_triangle.rb

@@ -0,0 +1,41 @@
+#! /usr/bin/env ruby
+# coding: utf-8
+
+require "pp"
+require "helper"
+#require "test/unit"
+#require "pkg/klass.rb"
+
+class TC_Triangle < Test::Unit::TestCase
+  $tolerance = 10.0 ** (-10)
+
+  #VEC_O = Mageo::Vector3D[0.0, 0.0, 0.0]
+  #VEC_X = Mageo::Vector3D[1.0, 0.0, 0.0]
+  #VEC_Y = Mageo::Vector3D[0.0, 1.0, 0.0]
+  #VEC_Z = Mageo::Vector3D[0.0, 0.0, 1.0]
+
+  def setup
+    @t00 = CrystalCell::Povray::Triangle.new(
+      [0.0, 0.0, 0.0],
+      [1.0, 0.0, 0.0],
+      [0.0, 1.0, 0.0],
+      [0.25, 0.5, 0.75]
+    )
+  end
+
+  def test_to_pov
+    assert_equal(
+      "triangle{<0.000000,0.000000,0.000000>,<1.000000,0.000000,0.000000>,<0.000000,1.000000,0.000000> pigment {color rgb<0.250000,0.500000,0.750000>}}",
+      @t00.to_pov
+    )
+
+    @t00.transmit = 0.5
+    assert_equal(
+      "triangle{<0.000000,0.000000,0.000000>,<1.000000,0.000000,0.000000>,<0.000000,1.000000,0.000000> pigment {color rgb<0.250000,0.500000,0.750000> transmit 0.500000}}",
+      @t00.to_pov
+    )
+  end
+
+end
+
+

data/test/test_cell.rb

@@ -1549,8 +1549,13 @@ class TC_Cell < Test::Unit::TestCase
     assert_in_delta(0.0, result[0][2], $tolerance)
   end
 
-  #def dump_povray
-  # #pp @c01
-  # ##TODO
-  #end
+  def test_to_povcell
+    povcell = @c01.to_povcell
+    assert_equal(CrystalCell::Povray::Cell, povcell.class)
+    assert_equal(
+      CrystalCell::LatticeAxes.new(
+        [[2.0, 2.0, 2.0], [0.0, 2.0, 2.0], [0.0, 0.0, 2.0]]),
+      povcell.axes
+    )
+  end
 end

data/test/test_povray.rb

@@ -0,0 +1,104 @@
+#! /usr/bin/env ruby
+# coding: utf-8
+
+require "pp"
+require "helper"
+#require "test/unit"
+#require "pkg/klass.rb"
+#
+
+class TC_Povray < Test::Unit::TestCase
+  TOLERANCE = 1.0E-10
+
+  def setup
+    atoms = [
+      CrystalCell::Atom.new( 'Li', [0.0, 0.0, 0.0] ),
+      CrystalCell::Atom.new( 'O' , [0.2, 0.2, 0.2] ),
+    ]
+    cell = CrystalCell::Cell.new(
+      [[2.0, 2.0, 2.0], [0.0, 2.0, 2.0], [0.0, 0.0, 2.0]],  
+      atoms)
+    cell.comment = 'c02'
+
+    @p00 = CrystalCell::Povray.new(cell: cell)
+  end
+
+  def test_initialize
+    ## look_at
+    assert_in_delta( 1.0, @p00.camera.look_at[0], TOLERANCE)
+    assert_in_delta( 2.0, @p00.camera.look_at[1], TOLERANCE)
+    assert_in_delta( 3.0, @p00.camera.look_at[2], TOLERANCE)
+  end
+
+  def test_camera_location
+    ## look_at
+    @p00.camera_location([ 1.2, 2.3, 3.4])
+    assert_in_delta(2.2 , @p00.camera.location[0], TOLERANCE)
+    assert_in_delta(4.3 , @p00.camera.location[1], TOLERANCE)
+    assert_in_delta(6.4 , @p00.camera.location[2], TOLERANCE)
+
+    setup
+    @p00.camera.look_at = [0.1, 2.3, 3.4]
+    @p00.camera_location([ 1.2, 2.3, 3.4])
+    assert_in_delta(1.3 , @p00.camera.location[0], TOLERANCE)
+    assert_in_delta(4.6 , @p00.camera.location[1], TOLERANCE)
+    assert_in_delta(6.8 , @p00.camera.location[2], TOLERANCE)
+  end
+
+  def test_camera_location_polar
+    ## look_at
+    @p00.camera_location_polar( 6.0, 0.0, 0.0)
+    assert_in_delta(1.0 , @p00.camera.location[0], TOLERANCE)
+    assert_in_delta(2.0 , @p00.camera.location[1], TOLERANCE)
+    assert_in_delta(9.0 , @p00.camera.location[2], TOLERANCE)
+
+    @p00.camera_location_polar( 6.0, 90.0, 0.0)
+    assert_in_delta(7.0 , @p00.camera.location[0], TOLERANCE)
+    assert_in_delta(2.0 , @p00.camera.location[1], TOLERANCE)
+    assert_in_delta(3.0 , @p00.camera.location[2], TOLERANCE)
+
+    @p00.camera_location_polar( 6.0, 90.0, 90.0)
+    assert_in_delta(1.0 , @p00.camera.location[0], TOLERANCE)
+    assert_in_delta(8.0 , @p00.camera.location[1], TOLERANCE)
+    assert_in_delta(3.0 , @p00.camera.location[2], TOLERANCE)
+
+    #setup
+    #@p00.camera.look_at = [0.1, 2.3, 3.4]
+    #@p00.camera_location_polar()
+  end
+
+  def test_shoot_snap
+    #basename = 'test/povray/tmp'
+    #povfile = basename + '.pov'
+    #pngfile = basename + '.png'
+
+    #FileUtils.rm povfile if File.exist? povfile
+    #FileUtils.rm pngfile if File.exist? pngfile
+
+    #@p00.shoot_snap(basename)
+
+    ##FileUtils.rm povfile if File.exist? povfile
+    ##FileUtils.rm pngfile if File.exist? pngfile
+  end
+
+  def test_shoot_4in1
+    #basename = 'test/povray/tmp'
+    #@p00.shoot_4in1(basename)
+  end
+
+  def test_dump
+    #io = StringIO.new
+    #@p00.dump(io)
+    #io.rewind
+    #puts io.read
+  end
+
+  def test_set_axes
+    assert_equal(nil, @p00.axes)
+    @p00.set_axes([-1.0, -1.0, 0.0])
+    #assert_equal(false, @p00.axes)
+    @p00.axes
+  end
+
+end
+

metadata

@@ -1,14 +1,14 @@
 --- !ruby/object:Gem::Specification
 name: crystalcell
 version: !ruby/object:Gem::Version
-  version: 0.0.6
+  version: 0.1.0
 platform: ruby
 authors:
 - ippei94da
 autorequire: 
 bindir: bin
 cert_chain: []
-date: 2016-05-31 00:00:00.000000000 Z
+date: 2016-07-12 00:00:00.000000000 Z
 dependencies:
 - !ruby/object:Gem::Dependency
   name: test-unit
@@ -16,14 +16,14 @@ dependencies:
     requirements:
     - - "~>"
       - !ruby/object:Gem::Version
-        version: '3.1'
+        version: '3.2'
   type: :development
   prerelease: false
   version_requirements: !ruby/object:Gem::Requirement
     requirements:
     - - "~>"
       - !ruby/object:Gem::Version
-        version: '3.1'
+        version: '3.2'
 - !ruby/object:Gem::Dependency
   name: rdoc
   requirement: !ruby/object:Gem::Requirement
@@ -100,14 +100,14 @@ dependencies:
     requirements:
     - - "~>"
       - !ruby/object:Gem::Version
-        version: '0.0'
+        version: '0.1'
   type: :development
   prerelease: false
   version_requirements: !ruby/object:Gem::Requirement
     requirements:
     - - "~>"
       - !ruby/object:Gem::Version
-        version: '0.0'
+        version: '0.1'
 - !ruby/object:Gem::Dependency
   name: maset
   requirement: !ruby/object:Gem::Requirement
@@ -162,20 +162,27 @@ files:
 - lib/crystalcell/povray.rb
 - lib/crystalcell/povray/camera.rb
 - lib/crystalcell/povray/cell.rb
+- lib/crystalcell/povray/color.rb
 - lib/crystalcell/povray/cylinder.rb
 - lib/crystalcell/povray/element.rb
 - lib/crystalcell/povray/sphere.rb
+- lib/crystalcell/povray/tetrahedron.rb
 - lib/crystalcell/povray/triangle.rb
 - test/cif/ZrO2-25C.cif
 - test/helper.rb
 - test/povray/test_camera.rb
 - test/povray/test_cell.rb
+- test/povray/test_colors.rb
+- test/povray/test_cylinder.rb
 - test/povray/test_element.rb
+- test/povray/test_tetrahedron.rb
+- test/povray/test_triangle.rb
 - test/test_atom.rb
 - test/test_cell.rb
 - test/test_element.rb
 - test/test_latticeaxes.rb
 - test/test_periodiccell.rb
+- test/test_povray.rb
 homepage: http://github.com/ippei94da/crystalcell
 licenses:
 - MIT