Greg Landrum 22da97b836 Add support for SRUs to MolEnumerator (#4563) ...

* preliminary first pass at SRU enumeration

* handle HH

* working
plus add a missing file... <doh!>

* passes basic tests for enumeration of multiple non-overlapping SRUs

* more SRU testing

* explore combining the SRU enumeration with enumerate()

* first step towards RepeatUnit in the python interface

* first pass at directly connected SRUs

* Fixes #4561

* make sure we don't try to enumeration SRU + LINKNODE
update python docs

* exception for ladders

* get a bit smarter about rejecting linknode enumerations

* turns out we actually *can* do ladders pretty easily

* update java wrappers

* make sure we can input from CXSMILES too

* some cleanup/documentation

* some refactoring

* response to review

2021-09-28 16:37:39 +02:00

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