Fix: Stereo handling for double bridgehead case #584
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The case is: ``` C1CC2[CH]C1O2 => [CH]1CC2CC1O2 ^ * ^ * ^ * ^* [* marks the first pair of bridgehead stereo atoms] [^ marks the first pair of bridgehead stereo atoms] ``` This case challenges the current stereo-reversibility implementation. The problem: The internal H transfer switches breaking and forming bonds in the TS graph. The canonical direction comparison was returning `None` for this process because the representations of the forward and reverse direction were identical. This has been partially fixed by adding a stereo parity component back into the representation, but it seems there is still something wrong (possibly some cases are still yielding identical representations -- I haven't yet investigated).
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The case is:
This case challenges the current stereo-reversibility implementation.
The problem: The internal H transfer switches breaking and forming bonds in the TS graph. The canonical direction comparison was returning
Nonefor this process because the representations of the forward and reverse direction were identical. This has been partially fixed by adding a stereo parity component back into the representation, but it seems there is still something wrong (possibly some cases are still yielding identical representations -- I haven't yet investigated).