Dan N 47acdc8b73 Issue #2403: Speed up SSSR symmetrization (#2410) ...

* Issue #2403: Speed up SSSR symmetrization

For my horrible example molecule (a highly symmetric
nanotube with 2400 atoms and > 1000 rings), this speeds up
symmetrizeSSSR() from 5s to about 0.002s. findSSSR() takes
another .4s or so.

* Refactor after Ricardo's suggestions

* Greg's review comments. use std::vector

2019-04-18 07:11:15 +02:00

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