Class: CrystalCell::Povray::Cell

Inherits:
Cell
  • Object
show all
Defined in:
lib/crystalcell/povray/cell.rb

Constant Summary collapse

RADIUS_RATIO = 
0.3
LATTICE_RADIUS = 
0.02
LATTICE_COLOR = 
[0.50, 0.50, 0.50]
BOND_RADIUS = 
0.05
BOND_COLOR = 
[0.75, 0.75, 0.75]

Instance Attribute Summary

Attributes inherited from Cell

#angle_tolerance, #atoms, #axes, #comment, #element_names, #symprec

Instance Method Summary collapse

Methods inherited from Cell

#==, #add_atom, #atoms_in_supercell, #brv_lattice, #brv_positions, #brv_types, #calc_volume, #cell_of_elements, #center_of_atoms, #delete_atom, #distance, #elements, #equal_atoms_in_delta?, #equal_in_delta?, #equal_lattice_in_delta?, #exchange_axes, #exchange_axes!, #hall_symbol, #hallnum, #initialize, #inverse_axis, #inverse_axis!, #o_shift, #operate, #positions, #reflect, #reflect!, #rotate, #rotate!, #rotations, #select_indices, #set_elements, #setting, #spg, #spgnum, #symmetry_operations, #t_mat, #to_pcell, #to_povcell, #translate, #translate!, #translations, #unite, #wyckoffs

Constructor Details

This class inherits a constructor from CrystalCell::Cell

Instance Method Details

#atoms_to_povs(tolerance = 0.0) ⇒ Object

原子を描画するための pov 形式文字列を返す。周期境界近傍の原子が tolerance 未満ならば、反対側のセル境界にも描画する。



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# File 'lib/crystalcell/povray/cell.rb', line 25

def atoms_to_povs(tolerance = 0.0)
  results = []
  atoms.each do |atom|
    periodic_translations(atom.position, tolerance).each do |translation|
      results << atom_to_pov(atom.translate(translation))
    end
  end
  results
end

#dump(io) ⇒ Object 



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# File 'lib/crystalcell/povray/cell.rb', line 17

def dump(io)
  self.to_pov.each do |line|
    io.print line
  end
end

#lattice_to_povs ⇒ Object

格子の棒を描画するための pov 形式文字列を返す。



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# File 'lib/crystalcell/povray/cell.rb', line 61

def lattice_to_povs
  v000 = Vector3DInternal[ 0.0, 0.0, 0.0 ].to_v3d(self.axes)
  v001 = Vector3DInternal[ 0.0, 0.0, 1.0 ].to_v3d(self.axes)
  v010 = Vector3DInternal[ 0.0, 1.0, 0.0 ].to_v3d(self.axes)
  v011 = Vector3DInternal[ 0.0, 1.0, 1.0 ].to_v3d(self.axes)
  v100 = Vector3DInternal[ 1.0, 0.0, 0.0 ].to_v3d(self.axes)
  v101 = Vector3DInternal[ 1.0, 0.0, 1.0 ].to_v3d(self.axes)
  v110 = Vector3DInternal[ 1.0, 1.0, 0.0 ].to_v3d(self.axes)
  v111 = Vector3DInternal[ 1.0, 1.0, 1.0 ].to_v3d(self.axes)

  results = []
  cy = CrystalCell::Povray::Cylinder
  r = LATTICE_RADIUS
  c = LATTICE_COLOR
  results << cy.new(v000, v001, r, c).to_pov.to_s + "\n"
  results << cy.new(v010, v011, r, c).to_pov.to_s + "\n"
  results << cy.new(v100, v101, r, c).to_pov.to_s + "\n"
  results << cy.new(v110, v111, r, c).to_pov.to_s + "\n"
  results << cy.new(v000, v010, r, c).to_pov.to_s + "\n"
  results << cy.new(v100, v110, r, c).to_pov.to_s + "\n"
  results << cy.new(v001, v011, r, c).to_pov.to_s + "\n"
  results << cy.new(v101, v111, r, c).to_pov.to_s + "\n"
  results << cy.new(v000, v100, r, c).to_pov.to_s + "\n"
  results << cy.new(v001, v101, r, c).to_pov.to_s + "\n"
  results << cy.new(v010, v110, r, c).to_pov.to_s + "\n"
  results << cy.new(v011, v111, r, c).to_pov.to_s + "\n"
  results
end

#to_pov ⇒ Object

povray 形式の文字列を返す。



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# File 'lib/crystalcell/povray/cell.rb', line 12

def to_pov
  #return atoms_to_povs + bonds_to_povs + lattice_to_povs
  return atoms_to_povs + lattice_to_povs
end