Module: Chem::Writer

Included in:
GDWriter, PDFWriter, RMagickWriter
Defined in:
lib/chem/db/vector.rb

Instance Method Summary collapse

Instance Method Details

#draw_body ⇒ Object

:nodoc:



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# File 'lib/chem/db/vector.rb', line 47

def draw_body # :nodoc:
  self.fbox() if @params[:fbox]
  @mol.edges.each do |bond, atom1, atom2|
    bond.color = [0, 0, 0] unless bond.color
    a1 = atom1.v_pos.dup
    a2 = atom2.v_pos.dup
    diff = a1 - a2
    len = diff.r
    # 20 % shorter
    a1 = a1 - diff * (@default_pointsize / len / 2.5) if atom1.visible
    a2 = a2 + diff * (@default_pointsize / len / 2.5) if atom2.visible

    vert = Vector[- diff[1], diff[0], 0]

    case bond.stereo
    when :up
      fill([a1, a2 + vert * 0.1, a2 - vert * 0.1], bond.color)
    when :down
      7.times do |n|
        line(a1 - diff * (1.0/ 8) * n + vert * 0.015 * n,
             a1 - diff * (1.0/ 8) * n - vert * 0.015 * n,
             bond.color)
      end
    else
      line(a1, a2, bond.color)
      if bond.v == 2
        v = Vector[atom1.x - atom2.x, atom1.y - atom2.y]
        @mol.adjacent_to(atom1).each do |e, node|
          next if node == atom2
          vv = Vector[atom1.x - node.x, atom1.y - node.y]
          #p a = v.inner_product(vv) / v.r / vv.r
          #p Math.acos(a)
        end
        line(a1 - vert * 0.15 - diff * 0.1,
             a2 - vert * 0.15 + diff * 0.1,
             bond.color)
      end
    end
  end
  @mol.nodes.each do |atom|
    params = {}
    params[:color] = atom.color if atom.color
    if atom.visible
      text(atom.label.nil? ? atom.element.to_s : atom.label, atom.v_pos[0], atom.v_pos[1], params)
    end
  end
end

#fbox ⇒ Object

:nodoc:



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# File 'lib/chem/db/vector.rb', line 38

def fbox # :nodoc:
  n = @params[:orig_point]
  m = [@params[:size][0] + n[0], @params[:size][1] + n[1]]
  line([m[0], m[1]], [m[0], n[1]], [0, 0, 0])
  line([m[0], m[1]], [n[0], m[1]], [0, 0, 0])
  line([m[0], n[1]], [n[0], n[1]], [0, 0, 0])
  line([n[0], m[1]], [n[0], n[1]], [0, 0, 0])
end

#initialize(mol, params) ⇒ Object

Constructors for Vector graphics Accepts several options

:fbox

true # black line frame

:upside_down

true # turns images upside down

:size
10, 20

# set box size

:pointsize

18 # set font size



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# File 'lib/chem/db/vector.rb', line 101

def initialize(mol, params)
  @mol = mol
  @params = params

  unless params[:manual] == false
    mol.nodes.each do |node|
      node.visible = true unless node.element == :C
      node.x = node.x.to_f
      node.y = node.y.to_f
      node.z = node.z.to_f
    end
  end

  @params[:fbox] = true
  @min = Vector[
    mol.nodes.min{|atom1, atom2| atom1.x <=> atom2.x}.x,
    mol.nodes.min{|atom1, atom2| atom1.y <=> atom2.y}.y,
    mol.nodes.min{|atom1, atom2| atom1.z <=> atom2.z}.z
  ]
  @max = Vector[
    mol.nodes.max{|atom1, atom2| atom1.x <=> atom2.x}.x,
    mol.nodes.max{|atom1, atom2| atom1.y <=> atom2.y}.y,
    mol.nodes.max{|atom1, atom2| atom1.z <=> atom2.z}.z
  ]
  @size = @max - @min
  @size = Vector[10.0, 10.0, 0.0] if @size[0] == 0.0 or @size[0] == 0.0
  x = (@params[:size][0] - @params[:margin][0] * 2) / @size[0]
  y = (@params[:size][1] - @params[:margin][1] * 2) / @size[1]
  scale = x < y ? x : y
  margin = Vector[@params[:margin][0], @params[:margin][1], 0]
  orig = Vector[* @params[:orig_point] << 0.0]
  mol.nodes.each do |atom|
    atom.v_pos = (atom.pos - @min ) * scale + orig + margin
    if @params[:upside_down]
      atom.v_pos = Vector[
        atom.v_pos[0],
        @params[:size][1] + @params[:margin][1] + @params[:orig_point][1] - atom.v_pos[1],
        atom.v_pos[2]]
    end
  end
end

#to_256(color) ⇒ Object 



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# File 'lib/chem/db/vector.rb', line 34

def to_256(color)
  color.collect{|c| (c * 255).to_i}
end