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openbabel:smilesrxn

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Last commit made on 2018-07-18
Get this branch:
git clone -b smilesrxn https://git.launchpad.net/openbabel

Branch merges

Branch information

Name:
smilesrxn
Repository:
lp:openbabel

Recent commits

5937140... by baoilleach

Merge branch 'master' into smilesrxn

99ce728... by baoilleach

Merge pull request #1849 from baoilleach/OBAtomGetResidue

Simplify/fix behavior of OBAtom::GetResidue so that it behaves like other lazy properties

2457ba9... by baoilleach

Update test case

699a54e... by Geoff Hutchison <email address hidden>

Merge pull request #1864 from ghutchis/skip-inchi-warnings

Ignore compile warnings on inchi directory.

857ec06... by Geoff Hutchison <email address hidden>

Ignore compile warnings on inchi directory.

8bb9ee4... by Geoff Hutchison <email address hidden>

Merge pull request #1847 from baoilleach/KeepAromaticity

Keep aromaticity in EndModify()

e6e22dd... by Julien Nabet <email address hidden>

Fix#192: parse and use '-a' flag for obrotate (#1835)

* Fix#192: parse and use '-a' flag for obrotate

Only command-line parsing was missing

a2ef24d... by baoilleach

Fix an issue where ring membership of atoms and bonds was not being reset by the perception routine. (#1856)

dcee817... by baoilleach

Ensure that the check for OBBond::IsInRing obeys the OBMol perception flags (#1848)

* Ensure that the check for OBBond::IsInRing obeys the OBMol perception flags rather than first checking its own flags.

72c8e98... by Yi-Shu Tu

 Modify cleaning blank line behaviors (#1855)

* Modify cleaning blank line behaviors, with avoiding peek() and tellg() bugs.