explicit H creates failure to match in global stereo model

With a FULL match, stereo search type set to STEREO_SPECIFIC, double bond stereo matching set to DBS_ALL, and stereo model set to STEREO_MODEL_GLOBAL, target C1CCC2=C(C1)CCCC2 and query [H]C1CCCC2=C1CCCC2 |c:5| fail to match, even though they ought to do. I'm trying it out at this page.

If I change the stereo model from global to comprehensive or local, or if I turn off double bond stereo matching, then they do match.

I don't understand why the presence of the explicit H atom should cause the match to fail.

Hi Bob,

Thank you for the notification. We could also reproduce this strange failing hit, and will further investigate and try to find the bug which causes it.

Krisztina

Hi Bob,

 

The bug has been fixed and will be available in the next release (15.2.2).

Thank you for the bug report.