#!/usr/bin/env python # -*- coding: utf-8 -*- # vim: set fileencoding=utf-8 ## EXTRAITS DE LA LICENCE ## Copyright CEA, contributeurs : Damien CALISTE, laboratoire L_Sim, (2012-2012) ## Adresse mèl : ## CALISTE, damien P caliste AT cea P fr. ## Ce logiciel est un programme informatique servant à visualiser des ## structures atomiques dans un rendu pseudo-3D. ## Ce logiciel est régi par la licence CeCILL soumise au droit français et ## respectant les principes de diffusion des logiciels libres. Vous pouvez ## utiliser, modifier et/ou redistribuer ce programme sous les conditions ## de la licence CeCILL telle que diffusée par le CEA, le CNRS et l'INRIA ## sur le site "http://www.cecill.info". ## Le fait que vous puissiez accéder à cet en-tête signifie que vous avez ## pris connaissance de la licence CeCILL, et que vous en avez accepté les ## termes (cf. le fichier Documentation/licence.fr.txt fourni avec ce logiciel). ## LICENCE SUM UP ## Copyright CEA, contributors: Damien CALISTE, L_Sim laboratory, (2012-2012) ## E-mail address: ## CALISTE, damien P caliste AT cea P fr. ## This software is a computer program whose purpose is to visualize atomic ## configurations in 3D. ## This software is governed by the CeCILL license under French law and ## abiding by the rules of distribution of free software. You can use, ## modify and/ or redistribute the software under the terms of the CeCILL ## license as circulated by CEA, CNRS and INRIA at the following URL ## "http://www.cecill.info". ## The fact that you are presently reading this means that you have had ## knowledge of the CeCILL license and that you accept its terms. You can ## find a copy of this licence shipped with this software at ## Documentation/licence.en.txt. from gi.repository import v_sim from gi.repository import Gtk import numpy from matplotlib.figure import Figure from matplotlib.backends.backend_cairo import FigureCanvasCairo as FigureCanvas from matplotlib.backends.backend_cairo import RendererCairo as Renderer dpi = 100 fig_width = 3 fig_height = 2 def mplCurveDraw(widget, cr, f, renderer): renderer.gc.ctx = cr w = widget.get_allocated_width() h = widget.get_allocated_height() cr.translate(max(0, (w - fig_width * dpi) * 0.5), -max(0, (h - fig_height * dpi) * 0.5)) renderer.set_width_height(w, h) f.draw(renderer) def onTogglePick(widget, interPick, panel, wdx, wdy, wdz, wdx_ref, wdy_ref, wdz_ref): render = v_sim.UiMainClass.getDefaultRendering() if (widget.get_active()): handle = interPick.connect("node-selection", onNodeSelected, panel, widget, wdx, wdy, wdz, wdx_ref, wdy_ref, wdz_ref) interPick.set_data("pick", handle) render.pushInteractive(interPick) render.pushMessage("Pick a node with the mouse") else: interPick.disconnect(interPick.get_data("pick")) render.popInteractive(interPick) render.popMessage() def onNodeSelected(inter, kind, node0, node1, node2, panel, toggle, entryX, entryY, entryZ, entryX_ref, entryY_ref, entryZ_ref): if not(kind == v_sim.InteractivePick.SELECTED): return data = panel.getData() (x, y, z) = data.getNodeCoordinates(node0) if entryX_ref is not None: entryX.setValue(x - entryX_ref.getValue()) else: entryX.setValue(x) if entryY_ref is not None: entryY.setValue(y - entryY_ref.getValue()) else: entryY.setValue(y) if entryZ_ref is not None: entryZ.setValue(z - entryZ_ref.getValue()) else: entryZ.setValue(z) toggle.set_active(False) def onDraw(widget, area, mplFig, panel, combo, (ox, oy, oz), (dx, dy, dz)): # We get the scalar field. it = combo.get_active_iter() if it is None: return model = combo.get_model() (field,) = model.get(it, v_sim.UiSurfacesFieldId.POINTER) data = panel.getData() # We setup the data to iterate over. orig = numpy.array(data.convertXYZToReduced((ox.getValue(), oy.getValue(), oz.getValue()))) vect = numpy.array(data.convertXYZToReduced((dx.getValue(), dy.getValue(), dz.getValue()))) norm = 1. / numpy.sqrt(vect[0] * vect[0] + vect[1] * vect[1] + vect[2] * vect[2]) vect *= norm l0 = max(-orig[0] / max(vect[0], 1e-6), -orig[1] / max(vect[1], 1e-6), -orig[2] / max(vect[2], 1e-6)) l1 = min((1. - orig[0]) / max(vect[0], 1e-6), (1. - orig[1]) / max(vect[1], 1e-6), (1. - orig[2]) / max(vect[2], 1e-6)) orig0 = numpy.array(data.convertReducedToXYZ(tuple(orig + l0 * vect))) vect0 = numpy.array(data.convertReducedToXYZ(tuple(orig + l1 * vect))) - orig0 norm = numpy.sqrt(vect0[0] * vect0[0] + vect0[1] * vect0[1] + vect0[2] * vect0[2]) # We setup the data to be plotted. a = mplFig.add_subplot(111) x = numpy.arange(0.0, 1.0, 0.01) y = numpy.arange(0.0, 1.0, 0.01) for i in range(100): point = orig0 + x[i] * vect0 (valid, val) = field.getValue(tuple(point), (0,0,0)) if valid: y[i] = val x *= norm a.plot(x,y) # We ask for redraw of the widget. area.queue_draw() def panelCreateSelection(panel, vbox, interPick, label, wdx_ref = None, wdy_ref = None, wdz_ref = None): # The line to choose the origin/orientation. hbox = Gtk.Box.new(Gtk.Orientation.HORIZONTAL, 5) vbox.pack_start(hbox, False, False, 0) lbl = Gtk.Label.new(label) hbox.pack_start(lbl, False, False, 0) wdx = v_sim.UiNumericalEntry.new(0.) wdx.set_width_chars(6) hbox.pack_start(wdx, True, True, 0) wdy = v_sim.UiNumericalEntry.new(0.) wdy.set_width_chars(6) hbox.pack_start(wdy, True, True, 0) wdz = v_sim.UiNumericalEntry.new(0.) wdz.set_width_chars(6) hbox.pack_start(wdz, True, True, 0) wd = Gtk.ToggleButton.new() wd.add(Gtk.Image.new_from_stock(Gtk.STOCK_FIND, Gtk.IconSize.MENU)) wd.connect("toggled", onTogglePick, interPick, panel, wdx, wdy, wdz, wdx_ref, wdy_ref, wdz_ref) hbox.pack_start(wd, False, False, 0) return (wdx, wdy, wdz) def panelCreateWidgets(): panel = v_sim.UiPanel.new("mytools", "Customized tools", "My tools") panel.setDockable(True) panel.attach(v_sim.UiPanelClass.getCommandPanel()); vbox = Gtk.Box.new(Gtk.Orientation.VERTICAL, 0) panel.add(vbox) lbl = Gtk.Label.new("Interpolate data along lines") lbl.set_alignment(0., 0.5) lbl.set_use_markup(True) vbox.pack_start(lbl, False, False, 0) # The line to choose a data field. hbox = Gtk.Box.new(Gtk.Orientation.HORIZONTAL, 5) vbox.pack_start(hbox, False, False, 0) lbl = Gtk.Label.new("Choose a data field:") hbox.pack_start(lbl, False, False, 0) combo = Gtk.ComboBox.new() combo.set_model(v_sim.UiPanel.surfaces_getFields()) hbox.pack_start(combo, True, True, 0) renderer = Gtk.CellRendererText.new() combo.pack_start(renderer, False) renderer.set_property("xalign", 1.0) combo.add_attribute(renderer, "markup", v_sim.UiSurfacesFieldId.LABEL) interPick = v_sim.Interactive.new(v_sim.InteractiveId.PICK) # The line to choose the origin. (origx, origy, origz) = panelCreateSelection(panel, vbox, interPick, "Choose the origin:") # The line to choose the direction. (dirx, diry, dirz) = panelCreateSelection(panel, vbox, interPick, "Choose the direction:", wdx_ref = origx, wdy_ref = origy, wdz_ref = origz) dirx.setValue(1.) diry.setValue(1.) dirz.setValue(1.) # The drawing area for the curve. hbox = Gtk.Box.new(Gtk.Orientation.HORIZONTAL, 0) vbox.pack_start(hbox, True, True, 0) scrolled = Gtk.ScrolledWindow.new(None, None) scrolled.set_policy(Gtk.PolicyType.AUTOMATIC, Gtk.PolicyType.AUTOMATIC) hbox.pack_start(scrolled, True, True, 0) f = Figure(figsize=(fig_width,fig_height), dpi = dpi) canvas = FigureCanvas(f) f.set_canvas(canvas) renderer = Renderer(dpi = dpi) area = Gtk.DrawingArea.new() area.set_size_request(fig_width * dpi, fig_height * dpi) area.connect("draw", mplCurveDraw, f, renderer) scrolled.add_with_viewport(area) # The toolbar for action on the curve. wd = Gtk.Toolbar.new() wd.set_orientation(Gtk.Orientation.VERTICAL) wd.set_style(Gtk.ToolbarStyle.ICONS) wd.set_icon_size(Gtk.IconSize.SMALL_TOOLBAR) hbox.pack_start(wd, False, False, 0) item = Gtk.ToolButton.new_from_stock(Gtk.STOCK_REFRESH) item.connect("clicked", onDraw, area, f, panel, combo, (origx, origy, origz), (dirx, diry, dirz)) wd.insert(item, -1) return (f, panel, interPick) # We create the widgets and plot the stuff. (mplFig, panel, i) = panelCreateWidgets() panel.show_all()