openbabel:snaps

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8a09f02... by baoilleach on 2018-07-21

Merge branch 'snaps' of https://github.com/baoilleach/openbabel into snaps

ff78dd7... by baoilleach on 2018-07-21

Merge branch 'master' into snaps

76d9832... by Geoff Hutchison <email address hidden> on 2018-07-19

Merge pull request #1836 from baoilleach/smilesrxn

Implement reaction handling as part of OBMol

eeca142... by Julien Nabet <email address hidden> on 2018-07-18

Fixes #1851: check some limits when converting smi to sdf using --gen2D (#1852)

See bts:
https://github.com/openbabel/openbabel/files/2081924/bt.txt
https://github.com/openbabel/openbabel/files/2082051/bt1.txt

540fd56... by Naruki Yoshikawa <naruki-yoshikawa@g.ecc.u-tokyo.ac.jp> on 2018-07-18

Fragment-based coordinate generation (#1850)

* Initial implementation for fragment based builder
* Implement table of contents for speed up
* Use torsion angle information
* Change loop order

5937140... by baoilleach on 2018-07-18

Merge branch 'master' into smilesrxn

99ce728... by baoilleach on 2018-07-15

Merge pull request #1849 from baoilleach/OBAtomGetResidue

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

2457ba9... by baoilleach on 2018-07-08

Update test case

699a54e... by Geoff Hutchison <email address hidden> on 2018-07-02

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

Ignore compile warnings on inchi directory.

857ec06... by Geoff Hutchison <email address hidden> on 2018-07-01

Ignore compile warnings on inchi directory.