Open Babel

openbabel:AvoidSSSR

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Last commit made on 2017-12-14
Get this branch:
git clone -b AvoidSSSR https://git.launchpad.net/openbabel

Branch merges

Branch information

Name:
AvoidSSSR
Repository:
lp:openbabel

Recent commits

74da3ea... by baoilleach

Correct the comparison. I was stripping the stereo from the wrong double bonds.

ea8b0f0... by baoilleach

Add the bounded BFS for smallest ring to the API

c9915d6... by baoilleach

Replace use of SSSR in SMILES writer with a bounded BFS search

d07d4ec... by Geoff Hutchison <email address hidden>

Merge pull request #1706 from baoilleach/FastSmiles2

Faster SMILES: Replace std::endl by "\n"

5e13200... by Geoff Hutchison <email address hidden>

Merge pull request #1707 from baoilleach/AvoidAuditMsg

Remove some audit messages

fb19e7c... by baoilleach

Remove some audit messages that copy the entire format description and then substring it.

8dfaa8f... by baoilleach

Use \r\n for Windows, which is the behaviour of the current release.

043a2f3... by baoilleach

Avoid use of std::endl, as 3.5% of the conversion time from smi->smi is spent on that. Also, just have a single write to the output file stream.

615f104... by Geoff Hutchison <email address hidden>

Merge pull request #1704 from baoilleach/fix_for_1701

Fix #1701

7a57706... by baoilleach

Fix for #1701 as reported by @balducci. Wrong return value from function caused compiler error.