def paintEvent(self, ev):
self.painter = QtGui.QPainter()
self.painter.begin(self)
self.painter.drawText(15, 15, "Contour Example using PyQt6 ...")
os.environ['GKSconid'] = "%x!%x" % (sip.unwrapinstance(self),
sip.unwrapinstance(self.painter))
gr.updatews()
self.painter.end()
def QAction_setMenu(self, menu):
if menu is not None and not isinstance(menu, QMenu):
raise TypeError()
if menu is not None and isdeleted(menu):
raise RuntimeError()
if isdeleted(self):
raise RuntimeError()
self.__QAction_menu = menu
_QAction_setMenuObject(unwrapinstance(self),
unwrapinstance(menu) if menu is not None else 0)
def MolDraw2DFromQPainter(qpainter, width=-1, height=-1, panelWidth=-1, panelHeight=-1):
from rdkit.Chem.Draw import rdMolDraw2DQt
if rdMolDraw2DQt.rdkitQtVersion.startswith('6'):
from PyQt6.QtGui import QPainter
else:
from PyQt5.Qt import QPainter
try:
# Prefer the PyQt-bundled sip
if rdMolDraw2DQt.rdkitQtVersion.startswith('6'):
from PyQt6 import sip
else:
from PyQt5 import sip
except ImportError:
# No bundled sip, try the standalone package
import sip
if not isinstance(qpainter, QPainter):
raise ValueError("argument must be a QPainter instance")
if width <= 0:
width = qpainter.viewport().width()
if height <= 0:
height = qpainter.viewport().height()
ptr = sip.unwrapinstance(qpainter)
d2d = rdMolDraw2DQt.MolDraw2DFromQPainter_(width, height, ptr, panelWidth, panelWidth)
# tie the lifetime of the QPainter to this MolDraw2D object
d2d._qptr = qpainter
return d2d
def testfunc():
m = Chem.MolFromSmiles('c1ccccc1O')
Draw.PrepareMolForDrawing(m)
qimg = QImage(250, 200, Format_RGB32)
with QPainter(qimg) as qptr:
p = sip.unwrapinstance(qptr)
d2d = rdMolDraw2DQt.MolDraw2DFromQPainter_(250, 200, p, -1, -1)
raise ValueError("expected")
def QAction_menu(self):
if isdeleted(self):
raise RuntimeError()
ptr = _QAction_menuObject(unwrapinstance(self))
if ptr is None:
return None
menu = wrapinstance(ptr, QMenu)
return menu
def testSIPBasics(self):
m = Chem.MolFromSmiles('c1ccccc1O')
Draw.PrepareMolForDrawing(m)
qimg = QImage(250, 200, Format_RGB32)
with QPainter(qimg) as qptr:
p = sip.unwrapinstance(qptr)
d2d = rdMolDraw2DQt.MolDraw2DFromQPainter_(250, 200, p)
d2d.DrawMolecule(m)
qimg.save("testImageFromPyQt-1.png")