Class: AimsProject::GeometryWindow

Inherits:
Wx::Panel
  • Object
show all
Includes:
Wx
Defined in:
lib/aims_project/geometry_window.rb

Instance Attribute Summary collapse

Instance Method Summary collapse

Constructor Details

#initialize(app, parent) ⇒ GeometryWindow

Returns a new instance of GeometryWindow.



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# File 'lib/aims_project/geometry_window.rb', line 9

def initialize(app, parent)
  
  super(parent)
  @app = app
        
  # Initialize the selection of atoms
  @selection = {}
  
  # Tracks whether changes in inspector should update the unit cell
  @update_unit_cell = false
  
  # Get an inspector window to add into
  @inspector_window = @app.inspector.add_inspector_window
  
  # This is a model/controller for the inspector to pass to the crystal viewer
  @options = CrystalViewerOptions.new(@inspector_window)
  
  # Top level is a splitter
  topSplitterWindow = SplitterWindow.new(self)
  sizer = VBoxSizer.new
  sizer.add_item(topSplitterWindow, :proportion => 1, :flag => EXPAND)
  
  set_sizer(sizer)
  
  # The top is a list control
  @geomList = ListCtrl.new(topSplitterWindow)
  app.project.geometries.sort{|a,b| a <=> b}.each{|geom|
    li = ListItem.new
    li.set_text(File.basename(geom))
    li.set_data(geom)
    @geomList.insert_item(li)
  }
  
  # The bottom is a vertical splitter
  geomWindowSplitter = SplitterWindow.new(topSplitterWindow)
  @geomEditor = GeometryEditor.new(self, geomWindowSplitter)
  @geomViewer = CrystalViewer.new(self, geomWindowSplitter, @options)
  
  geomWindowSplitter.split_vertically(@geomEditor, @geomViewer)
  
  # Add top and bottom sides together
  topSplitterWindow.split_horizontally(@geomList, geomWindowSplitter, 100)
  layout
  
  # Define events
  evt_list_item_selected(@geomList) {|evt|
    open_geometry_file(evt.get_item.get_data)
  }
  
  
end

Instance Attribute Details

#update_unit_cell ⇒ Object

Returns the value of attribute update_unit_cell.



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# File 'lib/aims_project/geometry_window.rb', line 7

def update_unit_cell
  @update_unit_cell
end

Instance Method Details

#add_geometry(geometry) ⇒ Object

Add a geometry with the given name



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# File 'lib/aims_project/geometry_window.rb', line 62

def add_geometry(geometry)
  @app.project.geometries << geometry
  li = ListItem.new
  li.set_text(File.basename(geometry.file))
  li.set_data(geometry.file)
  li.set_state(LIST_STATE_SELECTED)
  @geomList.insert_item(li)
  @geomList.sort{|a,b| a <=> b}
end

#geometry ⇒ Object

Get the currently displayed geometry



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# File 'lib/aims_project/geometry_window.rb', line 108

def geometry
  @original_uc
end

#image ⇒ Object 



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# File 'lib/aims_project/geometry_window.rb', line 103

def image
  @geomViewer.image
end

#nudge_selected_atoms(x, y, z) ⇒ Object 



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# File 'lib/aims_project/geometry_window.rb', line 133

def nudge_selected_atoms(x,y,z)
  if @selection[:atoms]
    @selection[:atoms].each{|a| a.displace!(x,y,z)}
  end
  @geomViewer.draw_scene
  @geomEditor.update
end

#open_geometry_file(file = nil) ⇒ Object

Display a file dialog and attempt to open and display the file



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# File 'lib/aims_project/geometry_window.rb', line 78

def open_geometry_file(file = nil)
  begin
    unless file
      fd = FileDialog.new(@app.frame, :message => "Open", :style => FD_OPEN, :default_dir => @working_dir)
      if ID_OK == fd.show_modal
        file = fd.get_path
        @working_dir = fd.get_directory
      else
        return
      end
    end
    @app.set_status "Opening #{file}"

    if (@app.project)
      show_geometry GeometryFile.new(File.new(file), @app.project.get_binding)
    else
      show_geometry GeometryFile.new(File.new(file))
    end


  rescue Exception => dang
    @app.error_dialog(dang)
  end
end

#select_atom(atom) ⇒ Object 



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# File 'lib/aims_project/geometry_window.rb', line 126

def select_atom(atom)
  @selection[:atoms] = [atom]
  puts "Selection:" 
  puts @selection[:atoms].each{|a| puts a.format_geometry_in}
  @geomEditor.select_atom(atom)
end

#show_geometry(geometry) ⇒ Object

Display the given geometry



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# File 'lib/aims_project/geometry_window.rb', line 113

def show_geometry(geometry)
  begin
    @original_uc = geometry
    @geomViewer.unit_cell = @original_uc
  rescue AimsProjectException => e
    @app.error_dialog(e)
  ensure
    @geomEditor.unit_cell = @original_uc
  end
  # @inspector.update(@geomViewer)
  # @geomViewer.draw_scene
end

#show_inspector ⇒ Object 



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# File 'lib/aims_project/geometry_window.rb', line 73

def show_inspector
  @app.inspector.show_inspector_window(@inspector_window)
end

#update_viewer ⇒ Object

Apply UI settings to viewer and re-render



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# File 'lib/aims_project/geometry_window.rb', line 142

def update_viewer
  
  puts "GeometryWindow.update_viewer"

  if @original_uc and self.update_unit_cell
    if @correct.get_value
      # @geomViewer.unit_cell = @original_uc.correct
      new_geom = @original_uc.repeat(@x_repeat.get_value, @y_repeat.get_value, @z_repeat.get_value).correct
    else
      # @geomViewer.unit_cell = @original_uc
      new_geom = @original_uc.repeat(@x_repeat.get_value, @y_repeat.get_value, @z_repeat.get_value)
    end
    @geomViewer.unit_cell = new_geom
    @geomEditor.unit_cell = new_geom
    self.update_unit_cell = false
  end

  # @geomViewer.repeat = [@inspector.x_repeat, @inspector.y_repeat, @inspector.z_repeat]
  @geomViewer.show_bonds = @show_bonds.get_value
  @geomViewer.bond_length = @bond_length.get_value
  @geomViewer.lighting = @show_lighting.get_value
  @geomViewer.show_supercell = @show_cell.get_value
  @geomViewer.show_xclip = @show_xclip.get_value
  @geomViewer.show_yclip = @show_yclip.get_value
  @geomViewer.show_zclip = @show_zclip.get_value
  @geomViewer.background.alpha = ((@transparent_bg.get_value) ? 0 : 1)
  @geomViewer.draw_scene
end