Jonathan Bisson
Jonathan Bisson
CC1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1 takes 2m on my machine CC1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1 takes 2s I think I'll throw a profiler at that
Minimal example that doesn't require rdkit ```c++ BOOST_AUTO_TEST_CASE(SlowMacrocycle) { auto mol = "CC1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1"_smiles; BOOST_TEST(mol->getBonds()[0]->getBondOrder() == 1); sketcherMinimizer minimizer; minimizer.initialize(mol.get()); minimizer.runGenerateCoordinates(); const auto& atoms = minimizer.getAtoms(); sketcherMinimizerAtom* center = atoms.at(0); BOOST_REQUIRE_EQUAL(center->getAtomicNumber(),...
I can confirm that, let me know if you need any additional info/testing/logs.
75324 has been well behaved for me for the last few days (M1 and VirtIO FS enabled)