Improved the abbreviation handling over atom sets, this is useful for… #996
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hold |
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@johnmay, when a PR is ready for me to review, plz just GH to invite me as reviewer. |
… reactions where we don't want to abbreviate across a bond which is broken/made. The semantics are a little hard to follow but essentially we either reject the sgroup out right, or tentatively accept it (may be fixable). As in the test case, to allow -Ac and NOT -OAc we reject out right and don't mark the atoms as visited.
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egonw
approved these changes
Aug 24, 2023
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… reactions where we don't want to abbreviate across a bond which is broken/made. The semantics are a little hard to follow but essentially we either reject the sgroup out right, or tentatively accept it (may be fixable). As in the test case, to allow -Ac and NOT -OAc we reject out right and don't mark the atoms as visited.