def save_dialog(gui): dialog = gtk.FileChooserDialog(_('Save ...'), None, gtk.FILE_CHOOSER_ACTION_SAVE, (gtk.STOCK_SAVE, gtk.RESPONSE_OK, gtk.STOCK_CANCEL, gtk.RESPONSE_CANCEL)) dialog.set_current_name('') dialog.set_current_folder(os.getcwd()) text = _('Append name with "@n" in order to write image number "n" ' 'instead of the current image.\n' 'Append "@start:stop" or "@start:stop:step" if you want to write ' 'a range of images.\n' 'You can leave out "start" and "stop" so that "name@:" will ' 'give you all images.\n' 'Negative numbers count from the last image ' '("name@-1": last image, "name@-2:": last two).') dialog.set_extra_widget(gtk.Label(text)) response = dialog.run() if response == gtk.RESPONSE_OK: filename = dialog.get_filename() dialog.destroy() else: dialog.destroy() return filename, index = parse_filename(filename) if index is None: index = slice(gui.frame, gui.frame + 1) if isinstance(index, str): index = string2index(index) format = filetype(filename, read=False) io = get_ioformat(format) extra = {} remove_hidden = False if format in ['png', 'eps', 'pov']: bbox = np.empty(4) size = np.array([gui.width, gui.height]) / gui.scale bbox[0:2] = np.dot(gui.center, gui.axes[:, :2]) - size / 2 bbox[2:] = bbox[:2] + size extra['rotation'] = gui.axes extra['show_unit_cell'] = gui.ui.get_widget( '/MenuBar/ViewMenu/ShowUnitCell').get_active() extra['bbox'] = bbox extra['colors'] = gui.get_colors(rgb=True)[gui.images.visible] remove_hidden = True images = [gui.images.get_atoms(i, remove_hidden=remove_hidden) for i in range(*index.indices(gui.images.nimages))] if len(images) > 1 and io.single: # We want to write multiple images, but the file format does not # support it. The solution is to write multiple files, inserting # a number in the file name before the suffix. j = filename.rfind('.') filename = filename[:j] + '{0:05d}' + filename[j:] for i, atoms in enumerate(images): write(filename.format(i), atoms, **extra) else: write(filename, images, **extra)
def read_nomad_json(fd, index): # wth, we should not be passing index like this! from ase.io.formats import string2index if isinstance(index, str): index = string2index(index) d = _read_nomad_json(fd) images = list(d.iterimages()) return images[index]
def save_dialog(gui, filename=None): dialog = ui.SaveFileDialog(gui.window.win, _('Save ...')) ui.Text(text).pack(dialog.top) filename = filename or dialog.go() if not filename: return filename, index = parse_filename(filename) if index is None: index = slice(gui.frame, gui.frame + 1) elif isinstance(index, basestring): index = string2index(index) elif isinstance(index, slice): pass else: if index < 0: index += len(gui.images) index = slice(index, index + 1) format = filetype(filename, read=False) io = get_ioformat(format) extra = {} remove_hidden = False if format in ['png', 'eps', 'pov']: bbox = np.empty(4) size = gui.window.size / gui.scale bbox[0:2] = np.dot(gui.center, gui.axes[:, :2]) - size / 2 bbox[2:] = bbox[:2] + size extra['rotation'] = gui.axes extra['show_unit_cell'] = gui.window['toggle-show-unit-cell'] extra['bbox'] = bbox colors = gui.get_colors(rgb=True) extra['colors'] = [ rgb for rgb, visible in zip(colors, gui.images.visible) if visible ] remove_hidden = True images = [ gui.images.get_atoms(i, remove_hidden=remove_hidden) for i in range(*index.indices(len(gui.images))) ] if len(images) > 1 and io.single: # We want to write multiple images, but the file format does not # support it. The solution is to write multiple files, inserting # a number in the file name before the suffix. j = filename.rfind('.') filename = filename[:j] + '{0:05d}' + filename[j:] for i, atoms in enumerate(images): write(filename.format(i), atoms, **extra) else: try: write(filename, images, **extra) except Exception as err: from ase.gui.ui import showerror showerror(_('Error'), err) raise
def __call__(self, fd, index=None, **kwargs): if isinstance(index, basestring): index = string2index(index) if index is None or index == ':': index = slice(None, None, None) if not isinstance(index, (slice, basestring)): index = slice(index, (index + 1) or None) for chunk in self._getslice(fd, index): yield chunk.build(**kwargs)
def save_dialog(gui, filename=None): dialog = ui.SaveFileDialog(gui.window.win, _('Save ...')) ui.Text(text).pack(dialog.top) filename = filename or dialog.go() if not filename: return filename, index = parse_filename(filename) if index is None: index = slice(gui.frame, gui.frame + 1) elif isinstance(index, basestring): index = string2index(index) elif isinstance(index, slice): pass else: if index < 0: index += len(gui.images) index = slice(index, index + 1) format = filetype(filename, read=False) io = get_ioformat(format) extra = {} remove_hidden = False if format in ['png', 'eps', 'pov']: bbox = np.empty(4) size = gui.window.size / gui.scale bbox[0:2] = np.dot(gui.center, gui.axes[:, :2]) - size / 2 bbox[2:] = bbox[:2] + size extra['rotation'] = gui.axes extra['show_unit_cell'] = gui.window['toggle-show-unit-cell'] extra['bbox'] = bbox colors = gui.get_colors(rgb=True) extra['colors'] = [rgb for rgb, visible in zip(colors, gui.images.visible) if visible] remove_hidden = True images = [gui.images.get_atoms(i, remove_hidden=remove_hidden) for i in range(*index.indices(len(gui.images)))] if len(images) > 1 and io.single: # We want to write multiple images, but the file format does not # support it. The solution is to write multiple files, inserting # a number in the file name before the suffix. j = filename.rfind('.') filename = filename[:j] + '{0:05d}' + filename[j:] for i, atoms in enumerate(images): write(filename.format(i), atoms, **extra) else: write(filename, images, **extra)
def read_db(filename, index, **kwargs): db = ase.db.connect(filename, serial=True, **kwargs) if isinstance(index, basestring): try: index = string2index(index) except ValueError: pass if isinstance(index, int): index = slice(index, index + 1 or None) if isinstance(index, basestring): # index is a database query string: for row in db.select(index): yield row.toatoms() else: start, stop, step = index.indices(db.count()) if start == stop: return assert step == 1 for row in db.select(offset=start, limit=stop - start): yield row.toatoms()
def save_dialog(gui): dialog = gtk.FileChooserDialog(_('Save ...'), None, gtk.FILE_CHOOSER_ACTION_SAVE, (gtk.STOCK_SAVE, gtk.RESPONSE_OK, gtk.STOCK_CANCEL, gtk.RESPONSE_CANCEL)) dialog.set_current_name('') dialog.set_current_folder(os.getcwd()) text = _('Append name with "@n" in order to write image number "n" ' 'instead of the current image.\n' 'Append "@start:stop" or "@start:stop:step" if you want to write ' 'a range of images.\n' 'You can leave out "start" and "stop" so that "name@:" will ' 'give you all images.\n' 'Negative numbers count from the last image ' '("name@-1": last image, "name@-2:": last two).') dialog.set_extra_widget(gtk.Label(text)) response = dialog.run() if response == gtk.RESPONSE_OK: filename = dialog.get_filename() dialog.destroy() else: dialog.destroy() return filename, index = parse_filename(filename) if index is None: index = slice(gui.frame, gui.frame + 1) if isinstance(index, str): index = string2index(index) format = filetype(filename, read=False) io = get_ioformat(format) extra = {} remove_hidden = False if format in ['png', 'eps', 'pov']: bbox = np.empty(4) size = np.array([gui.width, gui.height]) / gui.scale bbox[0:2] = np.dot(gui.center, gui.axes[:, :2]) - size / 2 bbox[2:] = bbox[:2] + size extra['rotation'] = gui.axes extra['show_unit_cell'] = gui.ui.get_widget( '/MenuBar/ViewMenu/ShowUnitCell').get_active() extra['bbox'] = bbox extra['colors'] = gui.get_colors(rgb=True)[gui.images.visible] remove_hidden = True images = [ gui.images.get_atoms(i, remove_hidden=remove_hidden) for i in range(*index.indices(gui.images.nimages)) ] if len(images) > 1 and io.single: # We want to write multiple images, but the file format does not # support it. The solution is to write multiple files, inserting # a number in the file name before the suffix. j = filename.rfind('.') filename = filename[:j] + '{0:05d}' + filename[j:] for i, atoms in enumerate(images): write(filename.format(i), atoms, **extra) else: write(filename, images, **extra)