Geoffrey Hutchison
889fba2d20
* scripts/java/OBTest.java: Bring back test program.
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* scripts/openbabel-java.i, scripts/openbabel-perl.i,
scripts/openbabel-ruby.i: Fix script bindings. Now compile
cleanly. Perl still needs work to pass tests.
* include/openbabel/math/spacegroup.h, include/openbabel/plugin.h:
Minor updates for SWIG compatibility.
2008-05-16 21:07:13 +00:00
Geoffrey Hutchison
1a078891f2
Merged revisions 1900-1914 via svnmerge from
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https://openbabel.svn.sourceforge.net/svnroot/openbabel/openbabel/branches/openbabel-2-1-x
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r1900 | ghutchis | 2007-03-24 14:17:59 -0400 (Sat, 24 Mar 2007) | 4 lines
* include/openbabel/atom.h, src/atom.cpp: Change SetVector to
const parameter.
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r1901 | ghutchis | 2007-03-25 09:16:53 -0400 (Sun, 25 Mar 2007) | 2 lines
Fix missing Makefile updates when I removed MMFF94 parameter files.
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r1902 | timvdm | 2007-03-25 09:38:42 -0400 (Sun, 25 Mar 2007) | 2 lines
removed unused code from forcefield.cpp
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r1903 | ghutchis | 2007-03-25 11:46:16 -0400 (Sun, 25 Mar 2007) | 2 lines
Removed unused mmff94validate (no MMFF94 support, so no reason to keep for 2.1)
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r1904 | ghutchis | 2007-03-26 11:37:13 -0400 (Mon, 26 Mar 2007) | 4 lines
* tools/obprop.cpp (main): Fix PR#1688251 with while/for loop on
CML files. Thanks to Tapani Kinnunen for the report.
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r1905 | ghutchis | 2007-03-26 11:41:08 -0400 (Mon, 26 Mar 2007) | 4 lines
* src/formats/mol2format.cpp: Fix problem reported by Noel with
"USER_CHARGES" appearing instead of Gasteiger.
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r1906 | ghutchis | 2007-03-26 11:41:28 -0400 (Mon, 26 Mar 2007) | 3 lines
* src/data.cpp, src/groupcontrib.cpp: Fix doxygen warnings.
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r1907 | ghutchis | 2007-03-26 16:58:44 -0400 (Mon, 26 Mar 2007) | 7 lines
* include/openbabel/groupcontrib.h: Documentation fixes.
* NEWS: Minor fixes.
* doc/*.1, doc/*.html: Documentation updates.
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r1908 | ghutchis | 2007-03-26 16:59:12 -0400 (Mon, 26 Mar 2007) | 2 lines
Minor doc fix.
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r1909 | ghutchis | 2007-03-26 17:00:55 -0400 (Mon, 26 Mar 2007) | 2 lines
Updates for change to OBAtom::SetVector const parameter
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r1910 | ghutchis | 2007-03-26 21:59:57 -0400 (Mon, 26 Mar 2007) | 4 lines
* src/obconversion.cpp: Make sure to always return from any
exception. Otherwise we could crash running code.
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r1911 | ghutchis | 2007-03-26 22:00:17 -0400 (Mon, 26 Mar 2007) | 4 lines
* src/formats/mdlformat.cpp: Avoid infinite loop in
ParseAliasText.
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r1912 | ghutchis | 2007-03-26 22:00:35 -0400 (Mon, 26 Mar 2007) | 3 lines
* src/formats/acrformat.cpp: Minor formatting change.
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r1913 | ghutchis | 2007-03-26 22:08:00 -0400 (Mon, 26 Mar 2007) | 7 lines
* test/Makefile.am, test/Makefile.in, test/wrapper.sh: Add
inchiwrite tests to suite.
* test/inchiwrite.cpp, test/inchi.pl: Formatting to integrate into
Perl "prove" test suite.
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r1914 | ghutchis | 2007-03-29 15:31:57 -0400 (Thu, 29 Mar 2007) | 4 lines
* scripts/: Updated interface wrappers, including new Java
README. (Java is confirmed to work on Mac OS X.)
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2007-04-13 18:57:13 +00:00
