def MolToPixmap(mol: Mol, size: QSize):
if size.isNull() or mol is None:
return QPixmap()
if not mol.GetNumConformers():
rdDepictor.Compute2DCoords(mol)
svg_drawer = rdMolDraw2D.MolDraw2DSVG(size.width(), size.height())
svg_drawer.drawOptions().clearBackground = False
svg_drawer.DrawMolecule(mol)
svg_drawer.FinishDrawing()
drawing_text = svg_drawer.GetDrawingText()
return SvgToPixmap(drawing_text, size)
def SvgToPixmap(svg_data: Union[str, bytes], size: QSize):
if size.isNull():
return QPixmap()
svg_renderer = QSvgRenderer()
if isinstance(svg_data, bytes):
svg_renderer.load(svg_data)
else:
svg_renderer.load(svg_data.encode('utf-8'))
pixmap = QPixmap(size)
painter = QPainter()
pixmap.fill(Qt.transparent)
painter.begin(pixmap)
svg_renderer.render(painter)
painter.end()
return pixmap
def InchiToPixmap(inchi: str, size: QSize):
if size.isNull() or not inchi:
return QPixmap()
return MolToPixmap(MolFromInchi(inchi), size)
def SmilesToPixmap(smiles: str, size: QSize):
if size.isNull() or not smiles:
return QPixmap()
return MolToPixmap(MolFromSmiles(smiles), size)
