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  • Committer: Package Import Robot
  • Author(s): Daniel Leidert
  • Date: 2013-05-22 19:08:27 UTC
  • mfrom: (1.1.11) (7.1.9 sid)
  • Revision ID: package-import@ubuntu.com-20130522190827-72q0fnx5y2nm3bc0
Tags: 2.3.2+dfsg-1
* New upstream release.
* debian/control: Dropped DM-Upload-Allowed field.
  (Standards-Version): Bumped to 3.9.4.
* debian/copyright: Massive update.
* debian/upstream: Author name update.
* debian/get-orig-source.sh: Remove the windows-*/ directory too.
* debian/openbabel.install: Removed roundtrip manpage.
* debian/openbabel-gui.install: Fixed manpage name.
* debian/openbabel-gui.links: Removed unused file.
* debian/rules: Enable OpenMP. Disable tests on `nocheck'.
* debian/patches/gaussformat_nosym.patch: Dropped. Applied upstream.
* debian/patches/moldenformat_coordonly.patch: Ditto.
* debian/patches/obspectrophore_man.patch: Ditto.
* debian/patches/fix_ftbfs.patch: Added.
  - Fix several FTBFS issues in upstream build system.
* debian/patches/series: Adjusted.

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scripts/openbabel-python.i
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#include <openbabel/spectrophore.h>
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#include <openbabel/chargemodel.h>
 
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#include <openbabel/phmodel.h>
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#include <openbabel/graphsym.h>
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#include <openbabel/isomorphism.h>
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#include <openbabel/query.h>
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#include <openbabel/canon.h>
 
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#include <openbabel/stereo/tetrahedral.h>
 
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#include <openbabel/stereo/cistrans.h>
 
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#include <openbabel/stereo/squareplanar.h>
 
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#include <openbabel/stereo/bindings.h>
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%}
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#ifdef HAVE_EIGEN2
 
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#ifdef HAVE_EIGEN
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%{
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#include <openbabel/conformersearch.h>
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#include <openbabel/math/align.h>
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VECTORTEMPLATE_WRAP(UnsignedInt, unsigned int)
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VVTEMPLATE_WRAP(Int, int)
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VECTORTEMPLATE_WRAP(Double, double)
 
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VECTORTEMPLATE_WRAP(ULong, unsigned long)
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VECTORTEMPLATE_WRAP(String, std::string)
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VECTORTEMPLATE_WRAP(Vector3, OpenBabel::vector3)
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VVTEMPLATE_WRAP(Vector3, OpenBabel::vector3)
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}
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%}
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%enddef
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%inline %{ // can't use macro -- AliasData not OBAliasData
 
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%inline %{ /* can't use macro -- AliasData not OBAliasData */
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OpenBabel::AliasData *toAliasData(OpenBabel::OBGenericData *data) {
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    return (OpenBabel::AliasData*) data;
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}
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CAST_GENERICDATA_TO(VectorData)
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CAST_GENERICDATA_TO(VibrationData)
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CAST_GENERICDATA_TO(VirtualBond)
 
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CAST_GENERICDATA_TO(TetrahedralStereo)
 
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CAST_GENERICDATA_TO(CisTransStereo)
 
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CAST_GENERICDATA_TO(SquarePlanarStereo)
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// This method is renamed to a valid Python method name, as otherwise
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// it cannot be used from Python
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%include <openbabel/op.h>
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%include <openbabel/chargemodel.h>
 
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%apply std::string& INPUT { std::string &start } // Required for OBChemTsfm.Init
 
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%apply std::string& INPUT { std::string &end }   // Required for OBChemTsfm.Init
 
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%include <openbabel/phmodel.h>
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%include <openbabel/graphsym.h>
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%include <openbabel/isomorphism.h>
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%include <openbabel/query.h>
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%include <openbabel/canon.h>
 
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%include <openbabel/stereo/stereo.h>
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%warnfilter(503) OpenBabel::OBBitVec; // Not wrapping any of the overloaded operators
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%ignore OpenBabel::Swab;
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%include <openbabel/rotamer.h>
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%include <openbabel/spectrophore.h>
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#ifdef HAVE_EIGEN2
 
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#ifdef HAVE_EIGEN
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%include <openbabel/conformersearch.h>
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%include <openbabel/math/align.h>
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#endif
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    raise Exception("Use OBMol.CloneData instead. OBMol.SetData is only for use from C++.")
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OBMol.SetData = exception
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%}
 
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%include "stereo.i"