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Describe the bug Wavy bonds are ignored by MolDraw2DQt
To Reproduce
{ auto mol = "CC=CC"_smiles; REQUIRE(mol); mol->getBondWithIdx(1)->setStereoAtoms(0, 3); mol->getBondWithIdx(1)->setStereo(Bond::BondStereo::STEREOANY); bool kekulize = true; bool addChiralHs = true; bool wedgeBonds = true; bool forceCoords = true; bool wavyBonds = true; MolDraw2DUtils::prepareMolForDrawing(*mol, kekulize, addChiralHs, wedgeBonds, forceCoords, wavyBonds); CHECK(mol->getBondWithIdx(0)->getBondDir() == Bond::BondDir::UNKNOWN); CHECK(mol->getBondWithIdx(1)->getStereo() == Bond::BondStereo::STEREONONE); { QImage qimg(400, 400, QImage::Format_ARGB32); QPainter qpt(&qimg); MolDraw2DQt drawer(qimg.width(), qimg.height(), &qpt); drawer.drawOptions().bondLineWidth = 3; drawer.drawOptions().scaleHighlightBondWidth = true; drawer.drawMolecule(*mol, "wavy bonds"); qimg.save("testWavyBonds.qt.1.png"); } }
Configuration (please complete the following information):
The text was updated successfully, but these errors were encountered:
Fixes rdkit#5386
e5eebbc
8676e3d
Fixes #5386 and #5389 (#5387)
785c9c5
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Describe the bug
Wavy bonds are ignored by MolDraw2DQt
To Reproduce
Configuration (please complete the following information):
The text was updated successfully, but these errors were encountered: