def MolDraw2DFromQPainter(qpainter,
width=-1,
height=-1,
panelWidth=-1,
panelHeight=-1):
from PyQt5.Qt import QPainter
try:
# Prefer the PyQt5-bundled sip
from PyQt5 import sip
except ImportError:
# No bundled sip, try the standalone package
import sip
from rdkit.Chem.Draw import rdMolDraw2DQt
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, QImage.Format_RGB32)
with QPainter(qimg) as qptr:
p = sip.unwrapinstance(qptr)
d2d = rdMolDraw2DQt.MolDraw2DFromQPainter_(250, 200, p, -1, -1)
raise ValueError("expected")
def testSIPBasics(self):
m = Chem.MolFromSmiles('c1ccccc1O')
Draw.PrepareMolForDrawing(m)
qimg = QImage(250, 200, QImage.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")