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openbabel:openbabel-2-1-x

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Last commit made on 2008-01-20
Get this branch:
git clone -b openbabel-2-1-x https://git.launchpad.net/openbabel

Branch merges

Branch information

Name:
openbabel-2-1-x
Repository:
lp:openbabel

Recent commits

d0fd521... by Michael Banck

Added inchi.sym, missing from last commit

b03b83b... by Michael Banck

        * test/cml.sh: Use /bin/bash to run, not /bin/sh as "source" is a
        bashism.

4ca8dcf... by Michael Banck

        * src/formats/inchi/inchi.sym: New file.
        * src/formats/inchi/Makefile.am (libinchi_la_LDFLAGS): Use inchi.sym
        to restrict the exported symbols via libtool's -export-symbols option.
        * src/formats/inchi/Makefile.in: Regenerated.

351844b... by Jean Bréfort

2007-12-12 Jean Brefort <email address hidden>

 * include/openbabel/data.h: add missing headers, see debian bug #455170.
 * include/openbabel/lineend.h: ditto.
 * include/openbabel/obconversion.h: ditto.
 * include/openbabel/obmolecformat.h: ditto.
 * include/openbabel/xml.h: ditto.
 * src/dlhandler_unix.cpp: ditto.
 * src/fingerprint.cpp: ditto.
 * src/formats/rxnformat.cpp: ditto.
 * src/obconversion.cpp: ditto.
 * src/residue.cpp: ditto.
 * src/tokenst.cpp: ditto.

db06f41... by Geoff Hutchison

        * src/forcefield.cpp, src/forcefields/forcefieldghemical.cpp:
        Defensive programming patch contributed by Ross
        Braithwaite. Prevents divide by zero in determining torsional
        angles in planar rings.

0a146e3... by Jean Bréfort

2007-09-02 Jean Brefort <email address hidden>

 * src/formats/chemdrawcdx.cpp: fixed bond order for triple and
 aromatic bonds.

8e00e3d... by Geoff Hutchison

Add back "std" namespace to std::min

3d1c525... by Geoff Hutchison

  * configure, Makefile.in, *: Rebuild from latest libtool,
  autotools, etc.

263ef90... by Geoff Hutchison

  * src/formats/cansmilesformat.cpp: Add support for new OBPairData
  "canonical order" -- space terminated string of canonical atom labels.

9e0b2af... by Geoff Hutchison

  * src/mol.cpp (Separate): More defensive programming to prevent
  crashing with incomplete OBChiralData.