def init(self):
box = PictureBox()
box.Dock = DockStyle.Fill
box.SizeMode = PictureBoxSizeMode.AutoSize
box.Image = self.image
self.image = box.Image
self.Controls.Add(box)
self.ClientSize = box.Size
def __init__(self, bitmap):
Form.__init__(self)
picBox = PictureBox()
picBox.SizeMode = PictureBoxSizeMode.AutoSize
picBox.Image = bitmap
picBox.Dock = DockStyle.Fill
self.Controls.Add(picBox)
self.Show()
self.Width = bitmap.Width + 20
self.Height = bitmap.Height + 20
def init(self):
"""Initialize the form.
Returns
-------
None
"""
box = PictureBox()
box.Dock = DockStyle.Fill
box.SizeMode = PictureBoxSizeMode.AutoSize
box.Image = self.image
self.image = box.Image
self.Controls.Add(box)
self.ClientSize = box.Size
def setup(self, filename, title):
# adjust the form's client area size to the picture
self.ClientSize = Size(300, 300)
self.Text = title
self.filename = filename
self.image = Image.FromFile(self.filename)
pictureBox = PictureBox()
# this will fit the image to the form
pictureBox.SizeMode = PictureBoxSizeMode.StretchImage
pictureBox.Image = self.image
# fit the picture box to the frame
pictureBox.Dock = DockStyle.Fill
self.Controls.Add(pictureBox)
self.Show()
def setup(self, filename, title):
# adjust the form's client area size to the picture
self.ClientSize = Size(300, 300)
self.Text = title
self.filename = filename
self.image = Image.FromFile(self.filename)
pictureBox = PictureBox()
# this will fit the image to the form
pictureBox.SizeMode = PictureBoxSizeMode.StretchImage
pictureBox.Image = self.image
# fit the picture box to the frame
pictureBox.Dock = DockStyle.Fill
self.Controls.Add(pictureBox)
self.Show()
def draw(self, show=True, filename=None, update=False, usecoords=False):
"""Create a 2D depiction of the molecule.
Optional parameters:
show -- display on screen (default is True)
filename -- write to file (default is None)
update -- update the coordinates of the atoms to those
determined by the structure diagram generator
(default is False)
usecoords -- don't calculate 2D coordinates, just use
the current coordinates (default is False)
Tkinter and Python Imaging Library are required for image display.
"""
if update:
mol = self.Mol
else:
mol = self.Mol.clone()
if not usecoords:
mol.layout()
if show or filename:
renderer = IndigoRenderer(indigo)
indigo.setOption("render-output-format", "png")
indigo.setOption("render-margins", 10, 10)
indigo.setOption("render-coloring", "True")
indigo.setOption("render-image-size", 300, 300)
indigo.setOption("render-background-color", "1.0, 1.0, 1.0")
if self.title:
indigo.setOption("render-comment", self.title)
if filename:
filedes = None
else:
filedes, filename = tempfile.mkstemp()
renderer.renderToFile(mol, filename)
if show:
if sys.platform[:4] == "java":
image = javax.imageio.ImageIO.read(java.io.File(filename))
frame = javax.swing.JFrame(visible=1)
frame.getContentPane().add(
javax.swing.JLabel(javax.swing.ImageIcon(image)))
frame.setSize(300, 300)
frame.setDefaultCloseOperation(
javax.swing.WindowConstants.DISPOSE_ON_CLOSE)
frame.show()
elif sys.platform[:3] == "cli":
if filedes:
errormessage = (
"It is only possible to show the molecule if you "
"provide a filename. The reason for this is that I kept "
"having problems when using temporary files.")
raise RuntimeError(errormessage)
form = Form()
form.ClientSize = Size(300, 300)
form.Text = self.title
image = Image.FromFile(filename)
box = PictureBox()
box.SizeMode = PictureBoxSizeMode.StretchImage
box.Image = image
box.Dock = DockStyle.Fill
form.Controls.Add(box)
form.Show()
Application.Run(form)
else:
if not PILtk:
errormessage = (
"Tkinter or Python Imaging "
"Library not found, but is required for image "
"display. See installation instructions for "
"more information.")
raise ImportError(errormessage)
root = tk.Tk()
root.title((hasattr(self, "title") and self.title)
or self.__str__().rstrip())
frame = tk.Frame(root, colormap="new",
visual='truecolor').pack()
image = PIL.open(filename)
imagedata = PILtk.PhotoImage(image)
label = tk.Label(frame, image=imagedata).pack()
quitbutton = tk.Button(
root, text="Close",
command=root.destroy).pack(fill=tk.X)
root.mainloop()
if filedes:
os.close(filedes)
os.remove(filename)
def draw(self, show=True, filename=None, update=False, usecoords=False):
"""Create a 2D depiction of the molecule.
Optional parameters:
show -- display on screen (default is True)
filename -- write to file (default is None)
update -- update the coordinates of the atoms to those
determined by the structure diagram generator
(default is False)
usecoords -- don't calculate 2D coordinates, just use
the current coordinates (default is False)
Tkinter and Python Imaging Library are required for image display.
"""
if update:
mol = self.Mol
else:
mol = self.Mol.clone()
if not usecoords:
mol.layout()
if show or filename:
renderer = IndigoRenderer(indigo)
indigo.setOption("render-output-format", "png")
indigo.setOption("render-margins", 10, 10)
indigo.setOption("render-coloring", "True")
indigo.setOption("render-image-size", 300, 300)
indigo.setOption("render-background-color", "1.0, 1.0, 1.0")
if self.title:
indigo.setOption("render-comment", self.title)
if filename:
filedes = None
else:
filedes, filename = tempfile.mkstemp()
renderer.renderToFile(mol, filename)
if show:
if sys.platform[:4] == "java":
image = javax.imageio.ImageIO.read(java.io.File(filename))
frame = javax.swing.JFrame(visible=1)
frame.getContentPane().add(javax.swing.JLabel(javax.swing.ImageIcon(image)))
frame.setSize(300,300)
frame.setDefaultCloseOperation(javax.swing.WindowConstants.DISPOSE_ON_CLOSE)
frame.show()
elif sys.platform[:3] == "cli":
if filedes:
errormessage = ("It is only possible to show the molecule if you "
"provide a filename. The reason for this is that I kept "
"having problems when using temporary files.")
raise RuntimeError(errormessage)
form = Form()
form.ClientSize = Size(300, 300)
form.Text = self.title
image = Image.FromFile(filename)
box = PictureBox()
box.SizeMode = PictureBoxSizeMode.StretchImage
box.Image = image
box.Dock = DockStyle.Fill
form.Controls.Add(box)
form.Show()
Application.Run(form)
else:
if not PILtk:
errormessage = ("Tkinter or Python Imaging "
"Library not found, but is required for image "
"display. See installation instructions for "
"more information.")
raise ImportError, errormessage
root = tk.Tk()
root.title((hasattr(self, "title") and self.title)
or self.__str__().rstrip())
frame = tk.Frame(root, colormap="new", visual='truecolor').pack()
image = PIL.open(filename)
imagedata = PILtk.PhotoImage(image)
label = tk.Label(frame, image=imagedata).pack()
quitbutton = tk.Button(root, text="Close", command=root.destroy).pack(fill=tk.X)
root.mainloop()
if filedes:
os.close(filedes)
os.remove(filename)
