crystalcell 0.0.4 → 0.0.5

checksums.yaml

@@ -1,7 +1,7 @@
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data/CHANGES

@@ -1,6 +1,11 @@
 = crystalcell Changelog
 
-== Master (for 0.0.5)
+== Master (for 0.0.6)
+
+== Version 0.0.5 [2016-05-09] released
+
+* Add CrystalCell::Povray::Camera
+* Delete meaningless codes
 
 == Version 0.0.4 [2016-03-11] released
 * LatticeAxes.axes is added.

data/VERSION

@@ -1 +1 @@
-0.0.4
+0.0.5

data/crystalcell.gemspec

@@ -2,16 +2,16 @@
 # DO NOT EDIT THIS FILE DIRECTLY
 # Instead, edit Jeweler::Tasks in Rakefile, and run 'rake gemspec'
 # -*- encoding: utf-8 -*-
-# stub: crystalcell 0.0.4 ruby lib
+# stub: crystalcell 0.0.5 ruby lib
 
 Gem::Specification.new do |s|
   s.name = "crystalcell"
-  s.version = "0.0.4"
+  s.version = "0.0.5"
 
   s.required_rubygems_version = Gem::Requirement.new(">= 0") if s.respond_to? :required_rubygems_version=
   s.require_paths = ["lib"]
   s.authors = ["ippei94da"]
-  s.date = "2016-03-10"
+  s.date = "2016-05-09"
   s.description = "This gem provides Cell, LatticeAxes, Atom classes, and so on.\n    And this provides simple treatment of a periodic boundary condition.\n  "
   s.email = "ippei94da@gmail.com"
   s.extra_rdoc_files = [
@@ -34,6 +34,7 @@ Gem::Specification.new do |s|
     "lib/crystalcell/latticeaxes.rb",
     "lib/crystalcell/periodiccell.rb",
     "lib/crystalcell/povray.rb",
+    "lib/crystalcell/povray/camera.rb",
     "lib/crystalcell/povray/cell.rb",
     "lib/crystalcell/povray/cylinder.rb",
     "lib/crystalcell/povray/element.rb",
@@ -41,6 +42,7 @@ Gem::Specification.new do |s|
     "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_element.rb",
     "test/test_atom.rb",

data/lib/crystalcell/cell.rb

@@ -336,7 +336,7 @@ class CrystalCell::Cell
     end
     @axes = CrystalCell::LatticeAxes.new( axes )
 
-    atoms = []
+    #atoms = []
     @atoms.each do |atom|
       position = []
       3.times do |i|
@@ -476,12 +476,12 @@ class CrystalCell::Cell
 
     #pp axes_t, poss, types, symprec, angle_tolerance
 
-    spgnum, spg, hallnum, hall_symbol, t_mat, o_shift,
-    rotations, translations, wyckoffs =
-      #include Getspg
-      #pp Getspg.methods.sort
-      #Getspg::get_dataset(axes_t, poss, types, symprec, angle_tolerance)
-      get_dataset(axes_t, poss, types, symprec, angle_tolerance)
+    #spgnum, spg, hallnum, hall_symbol, t_mat, o_shift,
+    #rotations, translations, wyckoffs =
+    #  get_dataset(axes_t, poss, types, symprec, angle_tolerance)
+    dataset = get_dataset(axes_t, poss, types, symprec, angle_tolerance)
+    rotations = dataset[6]
+    translations = dataset[7]
 
     results = []
     rotations.size.times do |index|

data/lib/crystalcell/periodiccell.rb

@@ -244,12 +244,10 @@ class CrystalCell::PeriodicCell < CrystalCell::Cell
     return tmp
   end
 
-  #undef center_of_atoms
-
   # superclass の inverse_axis! を行ったあと、
   # 原子の座標をセル内部に移す。
   def inverse_axis!( axis_id )
-    result = Marshal.load( Marshal.dump( self ) )
+    #result = Marshal.load( Marshal.dump( self ) )
     super( axis_id )
     reset_positions_inside
   end

data/lib/crystalcell/povray.rb

@@ -1,5 +1,6 @@
 module CrystalCell::Povray; end
 
+require 'crystalcell/povray/camera.rb'
 require 'crystalcell/povray/cell.rb'
 require 'crystalcell/povray/cylinder.rb'
 require 'crystalcell/povray/element.rb'

data/lib/crystalcell/povray/camera.rb

@@ -0,0 +1,57 @@
+#! /usr/bin/env ruby
+# coding: utf-8
+
+#
+#
+#
+class CrystalCell::Povray::Camera
+  #
+    #camera { orthographic
+    #  // orthographic       // これを入れる場合は location の前に。
+    #  location <  3.0, 3.0, 3.0 > // camera location
+    #  look_at  <  0.0, 0.0, 0.0 > // 注視点
+    #  sky      <  0.0, 0.0, 1.0 >
+    #  right    <-1.00, 0.0, 0.0 >
+    #  up       <  0.0, 1.0, 0.0 >
+    #  angle    68                 // カメラの水平方向の画角。左右合計の角度。
+    #}
+    #@orthographic = true
+    #@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
+
+  attr_accessor :orthographic, :location, :look_at, :sky, :right, :up, :angle
+
+  def initialize(orthographic:, location:, look_at:, sky:, right:, up:, angle:,
+                 additions: [])
+    @orthographic = orthographic
+    @location     = location    
+    @look_at      = look_at     
+    @sky          = sky         
+    @right        = right       
+    @up           = up          
+    @angle        = angle       
+    @additions    = additions       
+  end
+
+  def dump(io)
+    io.puts "camera {"
+    io.puts "  orthographic" if @orthographic
+    io.printf("  location <%f, %f, %f >\n", *@location)
+    io.printf("  look_at  <%f, %f, %f >\n", *@look_at)
+    io.printf("  sky      <%f, %f, %f >\n", *@sky)
+    io.printf("  right    <%f, %f, %f >\n", *@right)
+    io.printf("  up       <%f, %f, %f >\n", *@up)
+    io.printf("  angle    %f\n"           , @angle)
+    io.puts "}"
+    @additions.each do |i|
+      io.puts i
+    end
+  end
+
+end
+
+

data/test/povray/test_camera.rb

@@ -0,0 +1,109 @@
+#! /usr/bin/env ruby
+# coding: utf-8
+
+require "pp"
+require "helper"
+#require "test/unit"
+#require "pkg/klass.rb"
+
+class TC_Camera < Test::Unit::TestCase
+  def setup
+    @c00 = CrystalCell::Povray::Camera.new(
+      orthographic: true,
+      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
+    )
+  end
+
+  def test_initialize
+    hash = {
+      orthographic: true,
+      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
+    }
+    @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       )
+  end
+
+  def test_accessor
+    assert_equal( true               , @c00.orthographic)
+    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         )
+    assert_equal( [ -1.00, 0.0, 0.0 ], @c00.right       )
+    assert_equal( [   0.0, 1.0, 0.0 ], @c00.up          )
+    assert_equal( 68                 , @c00.angle       )
+
+    @c00.orthographic = false
+    assert_equal( false              , @c00.orthographic)
+  end
+
+  def test_additional
+    c10 = CrystalCell::Povray::Camera.new(
+      orthographic: true,
+      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 >
+  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
+}
+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
+    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
+}
+HERE
+    io = StringIO.new
+    @c00.dump(io)
+    io.rewind
+    result = io.read
+    assert_equal(correct, result)
+  end
+
+end

metadata

@@ -1,14 +1,14 @@
 --- !ruby/object:Gem::Specification
 name: crystalcell
 version: !ruby/object:Gem::Version
-  version: 0.0.4
+  version: 0.0.5
 platform: ruby
 authors:
 - ippei94da
 autorequire: 
 bindir: bin
 cert_chain: []
-date: 2016-03-10 00:00:00.000000000 Z
+date: 2016-05-09 00:00:00.000000000 Z
 dependencies:
 - !ruby/object:Gem::Dependency
   name: test-unit
@@ -160,6 +160,7 @@ files:
 - lib/crystalcell/latticeaxes.rb
 - lib/crystalcell/periodiccell.rb
 - lib/crystalcell/povray.rb
+- lib/crystalcell/povray/camera.rb
 - lib/crystalcell/povray/cell.rb
 - lib/crystalcell/povray/cylinder.rb
 - lib/crystalcell/povray/element.rb
@@ -167,6 +168,7 @@ files:
 - 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_element.rb
 - test/test_atom.rb