Class: AimsProject::CalculationTree

Inherits:
Wx::ScrolledWindow
  • Object
show all
Includes:
Wx
Defined in:
lib/aims_project/calculation_tree.rb

Instance Attribute Summary collapse

Instance Method Summary collapse

Constructor Details

#initialize(app, window) ⇒ CalculationTree

Returns a new instance of CalculationTree.



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

def initialize(app, window)
  super(window)
  self.app = app
  
  init_tree
  
  sizer = BoxSizer.new(VERTICAL)
  sizer.add(self.treeControl, 1, EXPAND | ALL, 5)

  set_auto_layout(true)
  set_sizer(sizer)
end

Instance Attribute Details

#app ⇒ Object

Returns the value of attribute app.



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

def app
  @app
end

#treeControl ⇒ Object

Returns the value of attribute treeControl.



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

def treeControl
  @treeControl
end

Instance Method Details

#init_tree ⇒ Object 



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# File 'lib/aims_project/calculation_tree.rb', line 22

def init_tree
  @treeControl = Wx::TreeCtrl.new(self)
  root = self.treeControl.add_root("-")
end

#show_calculation(calc) ⇒ Object 



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# File 'lib/aims_project/calculation_tree.rb', line 27

def show_calculation(calc)
  @tree_map = {}
  
  @treeControl.delete_all_items
  root = self.treeControl.add_root(calc.name)
  input_geom = @treeControl.append_item(root, calc.geometry)
  @tree_map[input_geom] = calc.input_geometry
  @treeControl.append_item(root, calc.control)
  @treeControl.append_item(root, calc.status)
  @treeControl.append_item(root, "CONVERGED: #{calc.converged?}")
  # @treeControl.append_item(root, calc.output.total_wall_time)
  if calc.output
    calc.output.geometry_steps.each{|step| 
      step_id = @treeControl.append_item(root, "Step %i" % step.step_num)
      @tree_map[step_id] = step
      @treeControl.append_item(step_id, "Total Energy: %f" % step.total_energy)
      @treeControl.append_item(step_id, "SC Iters: %i" % step.sc_iterations.size)
      @treeControl.append_item(step_id, "Wall Time: %f" % step.total_wall_time.to_s)
    }
  end
  @treeControl.expand(root)
  # self.app.project.calculations.each{|calc|
  #   calcid = self.treeControl.append_item(root, calc.name)
  #   @tree_map[calcid] = calc
  # }
  
  evt_tree_sel_changed(self.treeControl) {|evt|
     item = @tree_map[evt.get_item]
     if item.is_a? Aims::GeometryStep       
       self.app.show_geometry(item.geometry)
     end
     if item.is_a? Aims::Geometry
       self.app.show_geometry(item)
     end
  }
end