Class: AimsProject::CrystalViewer
- Inherits:
-
Wx::Panel
- Object
- Wx::Panel
- AimsProject::CrystalViewer
- Includes:
- Aims, Gl, Glu, Math, Wx
- Defined in:
- lib/aims_project/crystal_viewer.rb
Constant Summary collapse
- ID_ROTATE =
100
- ID_PAN =
101
- ID_ZOOM =
102
- PICK_ID_ATOM =
0x10000000
- PICK_ID_PLANE =
0x20000000
- PICK_ID_BOND =
0x30000000
Instance Attribute Summary collapse
-
#alt ⇒ Object
Returns the value of attribute alt.
-
#atom ⇒ Object
Returns the value of attribute atom.
-
#atoms_changed ⇒ Object
Returns the value of attribute atoms_changed.
-
#az ⇒ Object
Returns the value of attribute az.
-
#background ⇒ Object
The background color (glClearColor).
-
#current_cell ⇒ Object
If displaying multiple, then the current cell.
-
#height ⇒ Object
Returns the value of attribute height.
-
#mouse_motion_func ⇒ Object
The keyboard actions.
-
#offx ⇒ Object
Returns the value of attribute offx.
-
#offy ⇒ Object
Returns the value of attribute offy.
-
#offz ⇒ Object
Returns the value of attribute offz.
-
#ortho_side ⇒ Object
Returns the value of attribute ortho_side.
-
#ortho_zmax ⇒ Object
Returns the value of attribute ortho_zmax.
-
#ortho_zmin ⇒ Object
Returns the value of attribute ortho_zmin.
-
#orthographic ⇒ Object
Returns the value of attribute orthographic.
-
#picking ⇒ Object
Returns the value of attribute picking.
-
#render_mode ⇒ Object
Returns the value of attribute render_mode.
-
#repeat ⇒ Object
How many times to repeat the unit cell A three element vector.
-
#selection ⇒ Object
Returns the value of attribute selection.
-
#slices ⇒ Object
Returns the value of attribute slices.
-
#stacks ⇒ Object
Returns the value of attribute stacks.
-
#unit_cell ⇒ Object
An array of Aims::UnitCell’s to display.
-
#unit_cell_corrected ⇒ Object
readonly
Returns the value of attribute unit_cell_corrected.
-
#width ⇒ Object
Returns the value of attribute width.
-
#x_down ⇒ Object
Returns the value of attribute x_down.
-
#x_last ⇒ Object
Returns the value of attribute x_last.
-
#xmax_plane ⇒ Object
Returns the value of attribute xmax_plane.
-
#xmin_plane ⇒ Object
Returns the value of attribute xmin_plane.
-
#y_down ⇒ Object
Returns the value of attribute y_down.
-
#y_last ⇒ Object
Returns the value of attribute y_last.
-
#ymax_plane ⇒ Object
Returns the value of attribute ymax_plane.
-
#ymin_plane ⇒ Object
Returns the value of attribute ymin_plane.
-
#z_last ⇒ Object
Returns the value of attribute z_last.
-
#zmax_plane ⇒ Object
Returns the value of attribute zmax_plane.
-
#zmin_plane ⇒ Object
Returns the value of attribute zmin_plane.
Instance Method Summary collapse
- #add_lights ⇒ Object
- #alpha_image_data ⇒ Object
- #apply_projection ⇒ Object
- #bond_length=(l) ⇒ Object
-
#cast_ray_to(x, y) ⇒ Object
Cast a ray from the near clip-plane to the far clip-plane through the point x,y return a two element array element 0 is the model space coordinates of (x,y) on the near clip plane element 1 is the direction of the ray.
-
#current_unit_cell ⇒ Object
The currently displayed unit cell.
- #delete_atom ⇒ Object
- #draw_bonds(origin = [0,0,0]) ⇒ Object
- #draw_clip_planes ⇒ Object
- #draw_init ⇒ Object
- #draw_lattice(origin = [0,0,0]) ⇒ Object
-
#draw_plane(plane, lineLoop, pickid) ⇒ Object
Draw a plane use the vertices defined in lineLoop as the boundary of the plane.
- #draw_scene ⇒ Object
-
#draw_sphere(x, y, z, r, name, sphere_quadric = nil) ⇒ Object
Draw an atom.
- #dump_geometry ⇒ Object
- #dump_properties ⇒ Object
- #hiRes ⇒ Object
- #image ⇒ Object
- #init_clip_planes ⇒ Object
-
#initialize(controller, parent, options = nil) ⇒ CrystalViewer
constructor
A new instance of CrystalViewer.
-
#is_picked?(type, id) ⇒ Boolean
a test method to see of an object of a particular type was picked.
- #loRes ⇒ Object
- #mouse_down(x, y) ⇒ Object
- #mouse_dragged(x, y) ⇒ Object
- #mouse_up(x, y) ⇒ Object
- #move_clip_plane(x, y) ⇒ Object
- #nudge(dir) ⇒ Object
- #outline_supercell ⇒ Object
- #pan(x, y) ⇒ Object
- #pick_object(x, y) ⇒ Object
- #position_camera ⇒ Object
- #rgb_image_data ⇒ Object
- #rgba_image_data ⇒ Object
- #rotate(x, y) ⇒ Object
- #set_defaults ⇒ Object
-
#set_mouse_motion_function(method_name) ⇒ Object
Executes the named method when the mouse is dragged.
- #set_view(offset_x, offset_y, offset_z, alt, az) ⇒ Object
- #unit_cell_changed ⇒ Object
-
#unproject(x, y, z) ⇒ Object
Unproject the mouse coordinates to model space Handles the flipping of the y-coordinate.
-
#update ⇒ Object
Called when the options changes.
- #viewport_setup(width, height) ⇒ Object
- #zoom(x, y) ⇒ Object
Constructor Details
#initialize(controller, parent, options = nil) ⇒ CrystalViewer
Returns a new instance of CrystalViewer.
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# File 'lib/aims_project/crystal_viewer.rb', line 50 def initialize(controller, parent, = nil) super(parent) @controller = controller # Register self as an observer of the options if @options = else @options = CrystalViewerOptions.new(parent) end @options.add_observer(self) # Toolbar for the GL Canvas basedir = File.dirname(__FILE__) rotate_icon = Image.new(File.join(basedir,"rotate.gif"), BITMAP_TYPE_GIF) @rotate_tool = BitmapButton.new(self, :id => ID_ROTATE, :bitmap => rotate_icon.rescale(16,15).convert_to_bitmap,:name => "rotate") zoom_icon = Image.new(File.join(basedir,"zoom.gif"), BITMAP_TYPE_GIF) @zoom_tool = BitmapButton.new(self, :id => ID_ZOOM, :bitmap => zoom_icon.rescale(16,15).convert_to_bitmap, :name => "zoom") pan_icon = Image.new(File.join(basedir,"pan.gif"), BITMAP_TYPE_GIF) @pan_tool = BitmapButton.new(self, :id => ID_PAN, :bitmap => pan_icon.rescale(16,15).convert_to_bitmap, :name => "pan") (@rotate_tool) {|evt| set_mouse_motion_function(:rotate) } (@zoom_tool) {|evt| set_mouse_motion_function(:zoom) } (@pan_tool) {|evt| set_mouse_motion_function(:pan) } @buttonSizer = HBoxSizer.new @buttonSizer.add_item(@rotate_tool) @buttonSizer.add_item(@zoom_tool) @buttonSizer.add_item(@pan_tool) #@glPanel = CalendarCtrl.new(self) attrib = [Wx::GL_RGBA, Wx::GL_DOUBLEBUFFER, Wx::GL_DEPTH_SIZE, 24] @glPanel = GLCanvas.new(self, -1, [-1, -1], [-1, -1], Wx::FULL_REPAINT_ON_RESIZE, "GLCanvas", attrib) vbox_sizer = VBoxSizer.new vbox_sizer.add_item(@buttonSizer, :flag => EXPAND) vbox_sizer.add_item(@glPanel, :proportion => 1, :flag => EXPAND) set_sizer(vbox_sizer) set_defaults # Define the method to call for paint requests evt_paint { @glPanel.paint { draw_scene }} # Create the graphics view and define event handlers # For some reason, not all left-clicks are captured, # so we include this catchall as well, to prevent odd # behavior when rotating @glPanel.evt_mouse_events {|evt| if evt. self.set_focus mouse_down(evt.get_x, evt.get_y) end } @glPanel.evt_left_up {|evt| mouse_up(evt.get_x, evt.get_y) draw_scene } @glPanel.evt_motion {|evt| if evt.dragging mouse_dragged(evt.get_x, evt.get_y) draw_scene end } @glPanel.evt_char {|evt| nudge_dir = case evt.get_key_code when K_LEFT [-1,0,0] when K_RIGHT [1,0,0] when K_UP [0,1,0] when K_DOWN [0,-1,0] else [0,0,0] end nudge(nudge_dir) } # What to do when worker threads return evt_thread_callback {|evt| self.draw_scene } end |
Instance Attribute Details
#alt ⇒ Object
Returns the value of attribute alt.
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# File 'lib/aims_project/crystal_viewer.rb', line 36 def alt @alt end |
#atom ⇒ Object
Returns the value of attribute atom.
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# File 'lib/aims_project/crystal_viewer.rb', line 37 def atom @atom end |
#atoms_changed ⇒ Object
Returns the value of attribute atoms_changed.
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# File 'lib/aims_project/crystal_viewer.rb', line 46 def atoms_changed @atoms_changed end |
#az ⇒ Object
Returns the value of attribute az.
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# File 'lib/aims_project/crystal_viewer.rb', line 36 def az @az end |
#background ⇒ Object
The background color (glClearColor)
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# File 'lib/aims_project/crystal_viewer.rb', line 33 def background @background end |
#current_cell ⇒ Object
If displaying multiple, then the current cell
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# File 'lib/aims_project/crystal_viewer.rb', line 27 def current_cell @current_cell end |
#height ⇒ Object
Returns the value of attribute height.
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# File 'lib/aims_project/crystal_viewer.rb', line 37 def height @height end |
#mouse_motion_func ⇒ Object
The keyboard actions
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# File 'lib/aims_project/crystal_viewer.rb', line 30 def mouse_motion_func @mouse_motion_func end |
#offx ⇒ Object
Returns the value of attribute offx.
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# File 'lib/aims_project/crystal_viewer.rb', line 36 def offx @offx end |
#offy ⇒ Object
Returns the value of attribute offy.
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# File 'lib/aims_project/crystal_viewer.rb', line 36 def offy @offy end |
#offz ⇒ Object
Returns the value of attribute offz.
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# File 'lib/aims_project/crystal_viewer.rb', line 36 def offz @offz end |
#ortho_side ⇒ Object
Returns the value of attribute ortho_side.
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# File 'lib/aims_project/crystal_viewer.rb', line 35 def ortho_side @ortho_side end |
#ortho_zmax ⇒ Object
Returns the value of attribute ortho_zmax.
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# File 'lib/aims_project/crystal_viewer.rb', line 35 def ortho_zmax @ortho_zmax end |
#ortho_zmin ⇒ Object
Returns the value of attribute ortho_zmin.
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# File 'lib/aims_project/crystal_viewer.rb', line 35 def ortho_zmin @ortho_zmin end |
#orthographic ⇒ Object
Returns the value of attribute orthographic.
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# File 'lib/aims_project/crystal_viewer.rb', line 37 def orthographic @orthographic end |
#picking ⇒ Object
Returns the value of attribute picking.
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# File 'lib/aims_project/crystal_viewer.rb', line 37 def picking @picking end |
#render_mode ⇒ Object
Returns the value of attribute render_mode.
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# File 'lib/aims_project/crystal_viewer.rb', line 38 def render_mode @render_mode end |
#repeat ⇒ Object
How many times to repeat the unit cell A three element vector
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# File 'lib/aims_project/crystal_viewer.rb', line 24 def repeat @repeat end |
#selection ⇒ Object
Returns the value of attribute selection.
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# File 'lib/aims_project/crystal_viewer.rb', line 48 def selection @selection end |
#slices ⇒ Object
Returns the value of attribute slices.
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# File 'lib/aims_project/crystal_viewer.rb', line 44 def slices @slices end |
#stacks ⇒ Object
Returns the value of attribute stacks.
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# File 'lib/aims_project/crystal_viewer.rb', line 44 def stacks @stacks end |
#unit_cell ⇒ Object
An array of Aims::UnitCell’s to display
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# File 'lib/aims_project/crystal_viewer.rb', line 19 def unit_cell @unit_cell end |
#unit_cell_corrected ⇒ Object (readonly)
Returns the value of attribute unit_cell_corrected.
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# File 'lib/aims_project/crystal_viewer.rb', line 20 def unit_cell_corrected @unit_cell_corrected end |
#width ⇒ Object
Returns the value of attribute width.
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# File 'lib/aims_project/crystal_viewer.rb', line 37 def width @width end |
#x_down ⇒ Object
Returns the value of attribute x_down.
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# File 'lib/aims_project/crystal_viewer.rb', line 36 def x_down @x_down end |
#x_last ⇒ Object
Returns the value of attribute x_last.
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# File 'lib/aims_project/crystal_viewer.rb', line 37 def x_last @x_last end |
#xmax_plane ⇒ Object
Returns the value of attribute xmax_plane.
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# File 'lib/aims_project/crystal_viewer.rb', line 40 def xmax_plane @xmax_plane end |
#xmin_plane ⇒ Object
Returns the value of attribute xmin_plane.
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# File 'lib/aims_project/crystal_viewer.rb', line 40 def xmin_plane @xmin_plane end |
#y_down ⇒ Object
Returns the value of attribute y_down.
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# File 'lib/aims_project/crystal_viewer.rb', line 36 def y_down @y_down end |
#y_last ⇒ Object
Returns the value of attribute y_last.
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# File 'lib/aims_project/crystal_viewer.rb', line 37 def y_last @y_last end |
#ymax_plane ⇒ Object
Returns the value of attribute ymax_plane.
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# File 'lib/aims_project/crystal_viewer.rb', line 41 def ymax_plane @ymax_plane end |
#ymin_plane ⇒ Object
Returns the value of attribute ymin_plane.
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# File 'lib/aims_project/crystal_viewer.rb', line 41 def ymin_plane @ymin_plane end |
#z_last ⇒ Object
Returns the value of attribute z_last.
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# File 'lib/aims_project/crystal_viewer.rb', line 37 def z_last @z_last end |
#zmax_plane ⇒ Object
Returns the value of attribute zmax_plane.
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# File 'lib/aims_project/crystal_viewer.rb', line 42 def zmax_plane @zmax_plane end |
#zmin_plane ⇒ Object
Returns the value of attribute zmin_plane.
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# File 'lib/aims_project/crystal_viewer.rb', line 42 def zmin_plane @zmin_plane end |
Instance Method Details
#add_lights ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 636 def add_lights light0_position = [1,1,1,0] light1_position = [-1,-1,1,1] glLightModel(GL_LIGHT_MODEL_AMBIENT, [0.6, 0.6, 0.6 ,1.0]) # glLightModel(GL_LIGHT_MODEL_LOCAL_VIEWER, GL_TRUE) glLightfv(GL_LIGHT0, GL_POSITION, light0_position) glLightfv(GL_LIGHT1, GL_POSITION, light1_position) end |
#alpha_image_data ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 976 def alpha_image_data # 1 byte/pixel bytewidth = self.width; bytes = bytewidth*height; @glPanel.set_current glFinish # Setup pixel store glPixelStorei(Gl::GL_PACK_ALIGNMENT, 1) # Force byte alignment glPixelStorei(Gl::GL_PACK_ROW_LENGTH, 0) glPixelStorei(Gl::GL_PACK_SKIP_ROWS, 0) glPixelStorei(Gl::GL_PACK_SKIP_PIXELS, 0) glReadPixels(0, 0, self.width, self.height, Gl::GL_ALPHA, Gl::GL_UNSIGNED_BYTE) end |
#apply_projection ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 509 def apply_projection glMatrixMode(GL_PROJECTION) glLoadIdentity() if self.orthographic glOrtho(-self.ortho_side, self.ortho_side, -self.ortho_side,self.ortho_side, self.ortho_zmin, self.ortho_zmax) else gluPerspective(60, self.width/self.height, 1, 120) end glMatrixMode(GL_MODELVIEW) end |
#bond_length=(l) ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 283 def bond_length=(l) @options.bond_length = l # FIXME The bonds should be made in the controller # self.unit_cell.each{|uc| uc.make_bonds(l)} if self.unit_cell end |
#cast_ray_to(x, y) ⇒ Object
Cast a ray from the near clip-plane to the far clip-plane through the point x,y return a two element array
element 0 is the model space coordinates of (x,y) on the near clip plane
element 1 is the direction of the ray
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# File 'lib/aims_project/crystal_viewer.rb', line 380 def cast_ray_to(x,y) x1,y1,z1 = unproject(x,y,0) x2,y2,z2 = unproject(x,y,1) [ Vector[x1, y1, z1], Vector[x2-x1, y2-y1, z2-z1] ] end |
#current_unit_cell ⇒ Object
The currently displayed unit cell
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# File 'lib/aims_project/crystal_viewer.rb', line 272 def current_unit_cell self.unit_cell end |
#delete_atom ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 359 def delete_atom if self.atom # Remove self.unit_cell.remove_atom(self.atom) end end |
#draw_bonds(origin = [0,0,0]) ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 713 def draw_bonds(origin = [0,0,0]) return unless self.unit_cell atoms = if @options.correct @unit_cell_corrected else @unit_cell end return unless atoms.bonds Material.black.apply glLineWidth(1.0) glBegin(GL_LINES) atoms.bonds.each{|b| glVertex3f(origin[0] + b[0].x, origin[1] + b[0].y, origin[2] + b[0].z) glVertex3f(origin[0] + b[1].x, origin[1] + b[1].y, origin[2] + b[1].z) } glEnd() end |
#draw_clip_planes ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 869 def draw_clip_planes return unless self.unit_cell atoms = self.unit_cell bb = atoms.bounding_box bbx1 = bb[0].x bbx2 = bb[1].x bby1 = bb[0].y bby2 = bb[1].y bbz1 = bb[0].z bbz2 = bb[1].z # draw z_planes # The are bounded by the min and max points in the x-y plane if @options.show_zclip and @zmax_plane and @zmin_plane z = -1*@zmax_plane.distance_to_point(0,0,0) draw_plane(@zmax_plane, [[bbx1, bby1, z], [bbx2, bby1, z], [bbx2, bby2, z], [bbx1, bby2, z]],1) z = @zmin_plane.distance_to_point(0,0,0) draw_plane(@zmin_plane, [[bbx1, bby1, z], [bbx2, bby1, z], [bbx2, bby2, z], [bbx1, bby2, z]],2) end if @options.show_xclip and @xmax_plane and @xmin_plane x = -1*@xmax_plane.distance_to_point(0,0,0) draw_plane(@xmax_plane, [[x, bby1, bbz1], [x, bby1, bbz2], [x, bby2, bbz2], [x, bby2, bbz1]],3) x = @xmin_plane.distance_to_point(0,0,0) draw_plane(@xmin_plane, [[x, bby1, bbz1], [x, bby1, bbz2], [x, bby2, bbz2], [x, bby2, bbz1]],4) end if @options.show_yclip and @ymax_plane and @ymin_plane y = -1*@ymax_plane.distance_to_point(0,0,0) draw_plane(@ymax_plane, [[bbx1, y, bbz1], [bbx1, y, bbz2], [bbx2, y, bbz2], [bbx2, y, bbz1]],5) y = @ymin_plane.distance_to_point(0,0,0) draw_plane(@ymin_plane, [[bbx1, y, bbz1], [bbx1, y, bbz2], [bbx2, y, bbz2], [bbx2, y, bbz1]],6) end end |
#draw_init ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 520 def draw_init glClearColor(background.r,background.g,background.b,(@options.solid_bg ? 1.0 : 0.0)) glEnable(GL_DEPTH_TEST) glClear(GL_COLOR_BUFFER_BIT | GL_DEPTH_BUFFER_BIT) # Antialiasing glEnable(GL_LINE_SMOOTH) glEnable(GL_BLEND) glBlendFunc(GL_SRC_ALPHA, GL_ONE_MINUS_SRC_ALPHA) glHint(GL_LINE_SMOOTH_HINT, GL_NICEST) glHint(GL_POLYGON_SMOOTH_HINT, GL_NICEST) if @options.show_lighting glEnable(GL_LIGHTING) glEnable(GL_LIGHT0) else glDisable(GL_LIGHTING) end # Point size glPointSize(5) glLineWidth(2) end |
#draw_lattice(origin = [0,0,0]) ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 760 def draw_lattice(origin = [0,0,0]) return unless self.unit_cell atoms = if @options.correct @unit_cell.correct else @unit_cell end return unless atoms # Create sphere object rmin = 0.2 rmax = 0.5 if self.atoms_changed atoms.recache_visible_atoms self.atoms_changed = false end # Calculate radius scaling factor vs. depth rrange = rmax - rmin # bb = atoms.bounding_box zmin = atoms.min{|a,b| a.z <=> b.z}.z zmax = atoms.max{|a,b| a.z <=> b.z}.z zrange = zmax - zmin if zrange == 0 rscale = 0 else rscale = rrange/zrange end sphere_quadric = nil for a in atoms a.material.apply(@options.show_lighting) case self.render_mode when :ball_stick r = rmin+(a.z - zmin)*rscale else r = 2.0 end sphere_quadric = draw_sphere(origin[0] + a.x, origin[1] + a.y, origin[2] + a.z, r, a.id, sphere_quadric) end gluDeleteQuadric(sphere_quadric) if sphere_quadric end |
#draw_plane(plane, lineLoop, pickid) ⇒ Object
Draw a plane use the vertices defined in lineLoop as the boundary of the plane
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# File 'lib/aims_project/crystal_viewer.rb', line 834 def draw_plane(plane, lineLoop, pickid) glPushName(pickid | PICK_ID_PLANE) if self.picking # if is_picked?(:plane, pickid) # Material.black.apply # glLineWidth(3.0) # glEdgeFlag(GL_TRUE) # end glPolygonMode(GL_FRONT_AND_BACK, GL_FILL) Material.new(0.9, 0.9, 0.0, 0.5).apply glBegin(GL_TRIANGLE_FAN) glNormal3f(plane.a, plane.b, plane.c) lineLoop.each{|p| glVertex3f(p[0], p[1], p[2]) } glEnd() glEdgeFlag(GL_FALSE) glPopName() if picking if (is_picked?(:plane, pickid)) Material.black.apply glLineWidth(3.0) glBegin(GL_LINE_LOOP) lineLoop.each{|p| glVertex3f(p[0], p[1], p[2]) } glEnd() glLineWidth(1.0) end end |
#draw_scene ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 461 def draw_scene @glPanel.set_current sz = @glPanel.size (sz.width, sz.height) begin draw_init apply_projection position_camera add_lights if @options.show_lighting outline_supercell if @options.show_supercell if self.unit_cell atoms = self.unit_cell @options.x_repeat.times do |i| @options.y_repeat.times do |j| @options.z_repeat.times do |k| origin = if self.unit_cell.lattice_vectors atoms.lattice_vectors[0]*i + atoms.lattice_vectors[1]*j + atoms.lattice_vectors[2]*k else Vector[0, 0, 0] end draw_bonds(origin) if @options.show_bonds draw_lattice(origin) end end end end draw_clip_planes rescue GeometryEvaluationException => e rescue AimsProjectException => e puts e. puts e.backtrace.join("\n") end @glPanel.swap_buffers end |
#draw_sphere(x, y, z, r, name, sphere_quadric = nil) ⇒ Object
Draw an atom
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# File 'lib/aims_project/crystal_viewer.rb', line 740 def draw_sphere(x,y,z,r, name, sphere_quadric=nil) unless sphere_quadric sphere_quadric = gluNewQuadric() gluQuadricDrawStyle(sphere_quadric, GLU_FILL) gluQuadricNormals(sphere_quadric, GLU_SMOOTH) gluQuadricOrientation(sphere_quadric, GLU_OUTSIDE) end # Load a new matrix onto the stack glPushMatrix() glPushName(name | PICK_ID_ATOM) if self.picking glTranslatef(x, y, z) gluSphere(sphere_quadric, r, slices, stacks) glPopName() if picking glPopMatrix() sphere_quadric end |
#dump_geometry ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 276 def dump_geometry atoms = self.unit_cell if atoms puts atoms.format_geometry_in end end |
#dump_properties ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 265 def dump_properties self.instance_variables.each{|v| puts "#{v} = #{self.instance_variable_get(v)}" } end |
#hiRes ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 443 def hiRes self.slices = 20 self.stacks = 20 end |
#image ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 949 def image image = Image.new(self.width, self.height) image.set_rgb_data(self.rgb_image_data) image.set_alpha_data(self.alpha_image_data) image end |
#init_clip_planes ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 226 def init_clip_planes # Thread.new(self) { |evtHandler| # @unit_cell_corrected = @unit_cell.correct # evt = ThreadCallbackEvent.new # evtHandler.add_pending_event(evt) # } return unless (@unit_cell and @unit_cell.is_valid?) # each bounding box is a 2 element array [max, min] bounding_box = @unit_cell.bounding_box(false) xmax = bounding_box[0].x xmin = bounding_box[1].x ymax = bounding_box[0].y ymin = bounding_box[1].y zmax = bounding_box[0].z zmin = bounding_box[1].z @xmax_plane = Plane.new( 1, 0, 0, xmax, 0, 0) @xmin_plane = Plane.new(-1, 0, 0, xmin, 0, 0) @ymax_plane = Plane.new( 0, 1, 0, 0, ymax, 0) @ymin_plane = Plane.new( 0,-1, 0, 0, ymin, 0) @zmax_plane = Plane.new( 0, 0, 1, 0, 0, zmax) @zmin_plane = Plane.new( 0, 0,-1, 0, 0, zmin) # Add clip-planes to each unit cell @unit_cell.clear_planes @unit_cell.add_plane(@xmax_plane, false) @unit_cell.add_plane(@xmin_plane, false) @unit_cell.add_plane(@ymax_plane, false) @unit_cell.add_plane(@ymin_plane, false) @unit_cell.add_plane(@zmax_plane, false) @unit_cell.add_plane(@zmin_plane, false) @unit_cell.recache_visible_atoms @unit_cell.make_bonds(@options.bond_length) end |
#is_picked?(type, id) ⇒ Boolean
a test method to see of an object of a particular type was picked. valid types are :atom, :plane
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# File 'lib/aims_project/crystal_viewer.rb', line 814 def is_picked?(type, id) if @picked case type when :atom @picked[:atoms].member? id when :plane @picked[:planes].member? id when :bond @picked[:bonds].member? id else false end else false end end |
#loRes ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 438 def loRes self.slices = 5 self.stacks = 5 end |
#mouse_down(x, y) ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 289 def mouse_down(x,y) self.x_down = x self.y_down = y self.x_last = x self.y_last = y self.loRes end |
#mouse_dragged(x, y) ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 337 def mouse_dragged(x, y) # Harmless correction for bug in WxRuby that doesn't register all mouse down events self.x_last = x if self.x_last.nil? self.y_last = y if self.y_last.nil? self.z_last = z if self.z_last.nil? case self.mouse_motion_func when :rotate rotate(x,y) when :zoom zoom(x,y) when :pan pan(x,y) when :move_clip_plane move_clip_plane(x,y) else rotate(x,y) end glutPostRedisplay if @using_glut end |
#mouse_up(x, y) ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 297 def mouse_up(x,y) return unless self.unit_cell @picked = pick_object(x,y) self.atom = self.unit_cell.atoms.find{|a| a.id == @picked[:atoms].last} if self.atom @controller.select_atom(self.atom) # puts self.atom.format_geometry_in end unless @picked[:planes].empty? clip_plane_id = @picked[:planes].first @active_clip_plane = case clip_plane_id when 1 @zmax_plane when 2 @zmin_plane when 3 @xmax_plane when 4 @xmin_plane when 5 @ymax_plane when 6 @ymin_plane else nil end if @active_clip_plane set_mouse_motion_function(:move_clip_plane) end end self.hiRes # Harmless correction for bug in WxRuby that doesn't register all mouse down events self.x_last = nil self.y_last = nil glutPostRedisplay if @using_glut end |
#move_clip_plane(x, y) ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 386 def move_clip_plane(x,y) x_obj_last, y_obj_last, z_obj_last = unproject(x_last, y_last, 0) x_obj, y_obj, z_obj = unproject(x,y,0) w = [x_obj - x_obj_last, y_obj - y_obj_last, z_obj - z_obj_last] n = @active_clip_plane.unit_normal d = w[0]*n[0] + w[1]*n[1] + w[2]*n[2] # scale = 0.1 # dx = (x - self.x_last) # dy = (y - self.y_last) # dr = sqrt(dx*dx + dy*dy)*(0 > dy ? -1 : 1)*scale self.x_last = x self.y_last = y @active_clip_plane.displace_along_normal(d) self.atoms_changed = true end |
#nudge(dir) ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 197 def nudge(dir) @controller.nudge_selected_atoms(dir[0]*0.5, dir[1]*0.5, 0) end |
#outline_supercell ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 645 def outline_supercell return unless self.unit_cell uc = self.unit_cell vecs = uc.lattice_vectors return unless vecs origin = [0, 0, 0] v1 = vecs[0] v2 = vecs[1] v3 = vecs[2] # Corner #1 c1 = v1 + v3 # Corner #2 c2 = v2 + v3 # Corner #3 c3 = v1 + v2 # Corner #4 c4 = v1 + v2 + v3 Material.black.apply glLineWidth(1.0) glBegin(GL_LINES) glVertex3f(origin[0], origin[1], origin[2]) glVertex3f(v1[0], v1[1], v1[2]) glVertex3f(origin[0], origin[1], origin[2]) glVertex3f(v2[0], v2[1], v2[2]) glVertex3f(origin[0], origin[1], origin[2]) glVertex3f(v3[0], v3[1], v3[2]) glVertex3f(v1[0], v1[1], v1[2]) glVertex3f(c3[0], c3[1], c3[2]) glVertex3f(v2[0], v2[1], v2[2]) glVertex3f(c3[0], c3[1], c3[2]) glVertex3f(c3[0], c3[1], c3[2]) glVertex3f(c4[0], c4[1], c4[2]) glVertex3f(v1[0], v1[1], v1[2]) glVertex3f(c1[0], c1[1], c1[2]) glVertex3f(v2[0], v2[1], v2[2]) glVertex3f(c2[0], c2[1], c2[2]) glVertex3f(c1[0], c1[1], c1[2]) glVertex3f(c4[0], c4[1], c4[2]) glVertex3f(c2[0], c2[1], c2[2]) glVertex3f(c4[0], c4[1], c4[2]) glVertex3f(v3[0], v3[1], v3[2]) glVertex3f(c1[0], c1[1], c1[2]) glVertex3f(v3[0], v3[1], v3[2]) glVertex3f(c2[0], c2[1], c2[2]) glEnd() end |
#pan(x, y) ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 423 def pan(x,y) z = 0.0 # This value is normalized with respect to the near and far clip planes obj_x, obj_y, obj_z = unproject(x, y, z) obj_x_last, obj_y_last, obj_z_last = unproject(x_last, y_last, z_last) @center.x += obj_x_last - obj_x @center.y += obj_y_last - obj_y @center.z += obj_z_last - obj_z self.x_last = x self.y_last = y self.z_last = z end |
#pick_object(x, y) ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 545 def pick_object(x,y) buf = glSelectBuffer(512) glRenderMode(GL_SELECT) model = glGetDoublev(GL_MODELVIEW_MATRIX) proj = glGetDoublev(GL_PROJECTION_MATRIX) = glGetIntegerv(GL_VIEWPORT); self.picking = true glMatrixMode(GL_PROJECTION) glLoadIdentity() gluPickMatrix(x,[3]-y,5,5,) if self.orthographic glOrtho(-self.ortho_side, self.ortho_side, -self.ortho_side,self.ortho_side, self.ortho_zmin, self.ortho_zmax) else gluPerspective(60, self.width/self.height, 1, 60) end z = 0.0 # This value is normalized with respect to the near and far clip planes obj_x, obj_y, obj_z = gluUnProject(x, [3]-y, z, model, proj, ) glMatrixMode(GL_MODELVIEW) glInitNames if self.unit_cell atoms = self.unit_cell @options.x_repeat.times do |i| @options.y_repeat.times do |j| @options.z_repeat.times do |k| # Hack to display non-periodic systems origin = if self.unit_cell.lattice_vectors atoms.lattice_vectors[0]*i + atoms.lattice_vectors[1]*j + atoms.lattice_vectors[2]*k else Vector[0,0,0] end self.draw_lattice(origin) end end end end self.draw_clip_planes self.picking = false glMatrixMode(GL_MODELVIEW); glFlush(); count = glRenderMode(GL_RENDER) data = buf.unpack("L!*") names = [] count.times do num_names = data.shift min_depth = data.shift max_depth = data.shift num_names.times do names << data.shift end end picked_objects = {:atoms => [], :planes => [], :bonds => []} names.each{|n| if (n & PICK_ID_ATOM) == PICK_ID_ATOM picked_objects[:atoms] << (n ^ PICK_ID_ATOM) end if (n & PICK_ID_PLANE) == PICK_ID_PLANE picked_objects[:planes] << (n ^ PICK_ID_PLANE) end } picked_objects end |
#position_camera ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 619 def position_camera return unless self.unit_cell atoms = self.unit_cell # Find the center of all atoms, not just visible ones. @center = atoms.center unless @center # Move camera out along z-axis glMatrixMode(GL_MODELVIEW) glLoadIdentity() glTranslatef(self.offx,self.offy,self.offz) glRotatef(self.alt, 1, 0, 0) glRotatef(self.az, 0, 0, 1) glTranslatef(-@center.x, -@center.y, -@center.z) end |
#rgb_image_data ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 956 def rgb_image_data # 3 bytes/pixel bytewidth = self.width*3 bytes = bytewidth * self.height # Finish any pending Commands @glPanel.set_current glFinish # Setup pixel store glPixelStorei(Gl::GL_PACK_ALIGNMENT, 1) # Force byte alignment glPixelStorei(Gl::GL_PACK_ROW_LENGTH, 0) glPixelStorei(Gl::GL_PACK_SKIP_ROWS, 0) glPixelStorei(Gl::GL_PACK_SKIP_PIXELS, 0) glReadPixels(0, 0, self.width, self.height, Gl::GL_RGB, Gl::GL_UNSIGNED_BYTE) end |
#rgba_image_data ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 928 def rgba_image_data # 4 bytes/pixel bytewidth = self.width*4 bytewidth = (bytewidth.to_i + 3) & ~3 # Align to 4 bytes bytes = bytewidth * self.height # Finish any pending Commands @glPanel.set_current glFinish # Setup pixel store glPixelStorei(Gl::GL_PACK_ALIGNMENT, 4) # Force 4-byte alignment glPixelStorei(Gl::GL_PACK_ROW_LENGTH, 0) glPixelStorei(Gl::GL_PACK_SKIP_ROWS, 0) glPixelStorei(Gl::GL_PACK_SKIP_PIXELS, 0) glReadPixels(0, 0, self.width, self.height, Gl::GL_RGBA, Gl::GL_UNSIGNED_BYTE) end |
#rotate(x, y) ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 406 def rotate(x,y) self.az += 5*(x - self.x_last) self.alt += 5*(y - self.y_last) self.x_last = x self.y_last = y end |
#set_defaults ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 158 def set_defaults self.current_cell = 0 self.background = Material.new(0.7, 0.7, 1.0, 1) self.x_down = 0 self.y_down = 0 self.x_last = 0 self.y_last = 0 self.z_last = 0 self.alt = 0 self.az = 0 self.offx = 0 self.offy = 0 self.offz = -20 self.orthographic = true self.ortho_side = 15 self.ortho_zmin = -1 self.ortho_zmax = 50 self.width = 500 self.height = 500 self.picking =false # The last clicked atom self.atom = nil self.atoms_changed = true self.hiRes self.mouse_motion_func = :rotate self.repeat = Vector[1,1,1] self.render_mode = :ball_stick @options.set_properties( :bond_length => 3, :show_bonds => true, :show_lighting => true, :show_xclip => false, :show_yclip => false, :show_zclip => true, :show_supercell => true ) end |
#set_mouse_motion_function(method_name) ⇒ Object
Executes the named method when the mouse is dragged
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# File 'lib/aims_project/crystal_viewer.rb', line 457 def set_mouse_motion_function(method_name) self.mouse_motion_func = method_name.to_sym end |
#set_view(offset_x, offset_y, offset_z, alt, az) ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 448 def set_view(offset_x, offset_y, offset_z, alt, az) self.offx = offset_x self.offy = offset_y self.offz = offset_z self.alt = alt self.az = az end |
#unit_cell_changed ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 221 def unit_cell_changed init_clip_planes draw_scene end |
#unproject(x, y, z) ⇒ Object
Unproject the mouse coordinates to model space Handles the flipping of the y-coordinate
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# File 'lib/aims_project/crystal_viewer.rb', line 368 def unproject(x,y,z) model = glGetDoublev(GL_MODELVIEW_MATRIX) proj = glGetDoublev(GL_PROJECTION_MATRIX) = glGetIntegerv(GL_VIEWPORT); gluUnProject(x, [3]-y, z, model, proj, ) end |
#update ⇒ Object
Called when the options changes
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# File 'lib/aims_project/crystal_viewer.rb', line 154 def update self.draw_scene end |
#viewport_setup(width, height) ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 503 def (width, height) self.width = width self.height = height glViewport(0, 0, self.width, self.height) end |
#zoom(x, y) ⇒ Object
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# File 'lib/aims_project/crystal_viewer.rb', line 413 def zoom(x,y) if self.orthographic self.ortho_side -= (y - self.y_last)*0.1 else self.offz -= (y - self.y_last)*0.1 end self.x_last = x self.y_last = y end |