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@baoilleach baoilleach commented Nov 15, 2019

A contribution from @rogersayle of NextMove Software. Note that the reader does not offer full support for all aspects of the language but does cover a lot of ground. Thanks also to @richardjgowers for a bug fix.

The code is structured as two files to allow easy updating by @rogersayle from the original codebase.

The following poster has more info: https://www.nextmovesoftware.com/posters/Sayle_WisswesserLineNotation_BioIT_201904.pdf. Actually I should probably add info from this poster into the docstring. Marking PR as work in progress...

@baoilleach baoilleach changed the title Wiswesser Line Notation reader Wiswesser Line Notation reader [WIP] Nov 15, 2019
@baoilleach baoilleach changed the title Wiswesser Line Notation reader [WIP] Wiswesser Line Notation reader Nov 16, 2019
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Removed "WIP" designation. Now ready for merging or comments...

@ghutchis ghutchis merged commit 202550a into openbabel:master Nov 22, 2019
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2 participants