aims_project_windows 0.3.1
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- data/README +5 -0
- data/bin/AimsCalc +367 -0
- data/bin/AimsProject +88 -0
- data/bin/AimsProjectManager +39 -0
- data/lib/aims_project/aims_project_exception.rb +42 -0
- data/lib/aims_project/aims_project_geometry.rb +52 -0
- data/lib/aims_project/app_controller.rb +245 -0
- data/lib/aims_project/atom.rb +95 -0
- data/lib/aims_project/calculation.rb +406 -0
- data/lib/aims_project/calculation_tree.rb +65 -0
- data/lib/aims_project/calculation_window.rb +141 -0
- data/lib/aims_project/crystal_viewer.rb +994 -0
- data/lib/aims_project/crystal_viewer_options.rb +103 -0
- data/lib/aims_project/geometry_console.rb +155 -0
- data/lib/aims_project/geometry_editor.rb +83 -0
- data/lib/aims_project/geometry_file.rb +183 -0
- data/lib/aims_project/geometry_window.rb +160 -0
- data/lib/aims_project/green_arrow.jpg +0 -0
- data/lib/aims_project/inspector.rb +183 -0
- data/lib/aims_project/material.rb +30 -0
- data/lib/aims_project/octree.rb +5 -0
- data/lib/aims_project/pan.gif +0 -0
- data/lib/aims_project/project.rb +102 -0
- data/lib/aims_project/project_tree.rb +62 -0
- data/lib/aims_project/rotate.gif +0 -0
- data/lib/aims_project/thread_callback_event.rb +19 -0
- data/lib/aims_project/zoom.gif +0 -0
- data/lib/aims_project.rb +158 -0
- data/skeleton/Capfile +37 -0
- data/skeleton/config/aims.sh +58 -0
- data/skeleton/config/tasks.rb +145 -0
- data/skeleton/config/user_variables.rb +37 -0
- data/skeleton/control/example.erb +41 -0
- data/skeleton/geometry/example +1 -0
- metadata +137 -0
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module AimsProject
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class AppController < Wx::App
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include Wx
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ID_NEW = 102
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ID_SAVE_IMAGE = 103
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ID_MOVE_CLIP_PLANE = 104
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ID_SAVE_AS = 105
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ID_INSPECTOR = 201
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ID_DELETE_ATOM = 301
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@frame = nil
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@menubar = nil
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@inspector = nil
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@statusbar = nil
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# The project
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attr_accessor :project
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# Used to synchronize directory in open/save dialogs
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attr_accessor :working_dir
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# The root frame
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attr_accessor :frame
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# Build the application
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def on_init
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self.app_name = "AimsViewer"
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# Create the frame, toolbar and menubar and define event handlers
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size = [1000,700]
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@frame = Frame.new(nil, -1, "AimsViewer", DEFAULT_POSITION, size)
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@statusbar = @frame.create_status_bar
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# This timer will cause the main thread to pass every 2 ms so that other threads
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# can get work done.
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timer = Wx::Timer.new(self, Wx::ID_ANY)
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evt_timer(timer.id) {Thread.pass}
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timer.start(2)
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# Initialize the selection
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@selection = {}
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# Initialize the inspector
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@inspector = Inspector.new(self, @frame)
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# Create the geometry notebook page
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@geomWindow = GeometryWindow.new(self, @frame)
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frameSizer = VBoxSizer.new
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# frameSizer.add_item(@geomWindow, :proportion => 1, :flag => EXPAND)
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# @frame.set_sizer(frameSizer)
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@frame.set_menu_bar(menubar)
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# Display
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@frame.show
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end
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# Process a menu event
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def process_menu_event(event)
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case event.id
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when ID_INSPECTOR
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show_inspector
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when ID_DELETE_ATOM
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delete_atom
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when Wx::ID_OPEN
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open_file
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when Wx::ID_SAVE
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save_geometry
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when ID_NEW
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new_geometry_file
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when ID_SAVE_AS
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save_geometry_as
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when ID_SAVE_IMAGE
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save_image
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when Wx::ID_EXIT
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exit(0)
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else
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event.skip
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end
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end
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# Return the menubar. If it is undefined, then define it and attach the event handler
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def menubar
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unless @menubar
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fileMenu = Menu.new
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fileMenu.append(ID_NEW, "New Geometry ...")
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fileMenu.append(Wx::ID_OPEN, "Open ...\tCTRL+o")
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fileMenu.append(Wx::ID_SAVE, "Save Geometry\tCTRL+s")
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fileMenu.append(ID_SAVE_AS, "Save Geometry As...")
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fileMenu.append(ID_SAVE_IMAGE, "Export Image ...")
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fileMenu.append(Wx::ID_EXIT, "Exit")
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editMenu = Menu.new
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editMenu.append(ID_DELETE_ATOM, "Delete Atom\tCTRL+d")
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toolsMenu = Menu.new
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# toolsMenu.append(ID_ROTATE, "rotate", "Rotate", Wx::ITEM_CHECK)
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# toolsMenu.append(ID_ZOOM, "zoom", "Zoom", Wx::ITEM_CHECK)
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# toolsMenu.append(ID_PAN, "pan", "Pan", Wx::ITEM_CHECK)
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# toolsMenu.append(ID_MOVE_CLIP_PLANE, "move cilp plane", "Move", Wx::ITEM_CHECK)
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viewMenu = Menu.new
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viewMenu.append(ID_INSPECTOR, "inspector\tCTRL+i")
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@menubar = MenuBar.new
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@menubar.append(fileMenu, "File")
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@menubar.append(editMenu, "Edit")
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@menubar.append(viewMenu, "Views")
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@menubar.append(toolsMenu, "Tools")
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evt_menu @menubar, :process_menu_event
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end
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@menubar
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end
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def set_status(string)
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@frame.set_status_text(string)
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end
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# Get the inspector
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def inspector
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if @inspector.nil?
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@inspector = Inspector.new(self, @frame)
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end
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@inspector
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end
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# Show the inspector
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def show_inspector
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@geomWindow.show_inspector
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@inspector.show(true)
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end
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# Hide the inspector
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def hide_inspector
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@inspector.hide
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end
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# Create a new geometry file
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def new_geometry_file(file = nil)
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fd = TextEntryDialog.new(@frame, :message => "New Geometry", :caption => "Specify name of geometry:")
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if Wx::ID_OK == fd.show_modal
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begin
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geom_name = fd.get_value
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geometry = GeometryFile.new("")
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geometry = geometry.save_as(File.new(File.join(GEOMETRY_DIR, geom_name), "w"))
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@geomWindow.add_geometry(geometry)
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rescue Exception => e
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error_dialog(e)
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end
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end
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end
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# Display a file dialog and attempt to open and display the file
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def open_geometry_file(file = nil)
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begin
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unless file
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fd = FileDialog.new(@frame, :message => "Open", :style => FD_OPEN, :default_dir => @working_dir)
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if ID_OK == fd.show_modal
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file = fd.get_path
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@working_dir = fd.get_directory
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else
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return
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end
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end
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puts "Opening #{file}"
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@geomWindow.open_geometry_file(file)
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@frame.set_title(file)
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rescue Exception => dang
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error_dialog(dang)
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end
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end
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alias_method :open_file, :open_geometry_file
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def save_geometry
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geometry = @geomWindow.geometry
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begin
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if geometry.file
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geometry.save
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else
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save_geometry_as
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end
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rescue Exception => e
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error_dialog(e)
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end
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end
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# Save the geometry
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def save_geometry_as
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geometry = @geomWindow.geometry
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fd = FileDialog.new(@frame, :message => "Save Geometry", :style => FD_SAVE, :default_dir => @working_dir)
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if Wx::ID_OK == fd.show_modal
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begin
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@working_dir = fd.get_directory
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geom_name = fd.get_path
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new_geom = geometry.save_as(geom_name)
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@geomWindow.show_geometry(new_geom)
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rescue Exception => e
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error_dialog(e)
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end
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end
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end
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# Display an error dialog for the exception
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def error_dialog(exception)
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message = if exception.is_a? String
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exception
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elsif exception.is_a? Exception
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exception.message + "\n\n" + exception.backtrace[0..2].join("\n")
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end
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puts message
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MessageDialog.new(@frame, message, "Error", Wx::ICON_ERROR).show_modal
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end
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def save_image
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begin
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image = @geomWindow.image
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fd = FileDialog.new(@frame, :message => "Save Image", :style => FD_SAVE, :default_dir => @working_dir)
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if Wx::ID_OK == fd.show_modal
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@working_dir = fd.get_directory
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puts "Writing #{fd.get_path}"
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image.mirror(false).save_file(fd.get_path)
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end
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rescue Exception => e
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error_dialog(e)
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end
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end
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end
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end
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#
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# copyright 2012, Joshua Shapiro
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# joshua.shapiro@gmail.com
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#
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# This file is part of AimsProjectManager.
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#
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# AimsProjectManager is free software: you can redistribute it and/or modify
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# it under the terms of the GNU General Public License as published by
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# the Free Software Foundation, either version 3 of the License, or
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# (at your option) any later version.
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#
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# AimsProjectManager is distributed in the hope that it will be useful,
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# but WITHOUT ANY WARRANTY; without even the implied warranty of
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# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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# GNU General Public License for more details.
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#
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#
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module Aims
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# Adds display behavior to atoms.
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class Atom
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@@black = nil
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@@white = nil
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@@blue = nil
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@@red = nil
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@@green = nil
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@@dark = nil
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@@light = nil
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@@yellow = nil
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@@orange = nil
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@@graypurple = nil
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def material
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unless @@yellow
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@@yellow = AimsProject::Material.new(1,1,0,1)
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end
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unless @@black
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@@lback = AimsProject::Material.new(0,0,0,1)
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end
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unless @@white
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@@lback = AimsProject::Material.new(1,1,1,1)
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end
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unless @@blue
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@@blue = AimsProject::Material.new(0,0,1,1)
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end
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unless @@red
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@@red = AimsProject::Material.new(1,0.4,0.4,1)
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end
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unless @@green
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@@green = AimsProject::Material.new(0,1,0,1)
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end
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unless @@orange
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@@orange = AimsProject::Material.new(1, 0.5, 0, 1)
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end
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unless @@graypurple
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@@graypurple = AimsProject::Material.new(0.45, 0.55, 0.55, 1)
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end
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unless @@dark
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@@dark = AimsProject::Material.new(0.2,0.2,0.2,1)
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end
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unless @@light
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@@light = AimsProject::Material.new(1,1,1,1)
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end
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case self.species
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when /Ga/
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@@dark
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when /As/
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@@light
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when /In/
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@@graypurple
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when /P/
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@@orange
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when /Si/
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@@yellow
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when /C/
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@@red
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else
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@@blue
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end
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end
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end
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end
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