schrodinger / coordgenlibs

Schrodinger-developed 2D Coordinate Generation
BSD 3-Clause "New" or "Revised" License
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Don't copy vector when not needed. #48

Closed d-b-w closed 4 years ago

d-b-w commented 4 years ago

The copy of the bonds vector was, seriously, 10% of total duration for some example molecules that I looked at. (because of copies that occured while checking whether some atom is terminal)

Also fixes an extra copy for the ring vector, but that doesn't have an impact that I know of. It's just odd.