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 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)
