Hi Geoff, pytest_sym has been failing since r4538. The "Simplify rotation code" in builder.cpp part of r4538 must not be quite right. The test case is:
obabel -:"I/C=C/1\NC1" -oxyz --gen3d | bin/obabel -ixyz -ocan Before r4538, it gives I/C=C\1/CN1; afterwards, it gives I[CH][C]1CN1. It's not the length of the double-bond that has changed; rather the ring is not placed correctly. I'm attaching the xyz files for before and after. - Noel
test.xyz
Description: Protein Databank data
test_before.xyz
Description: Protein Databank data
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