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~ubuntu-branches/ubuntu/warty/openbabel/warty

Viewing all changes in revision 3.

Committer: Bazaar Package Importer
Author(s): Michael Banck
Date: 2004-03-13 14:05:21 UTC
mfrom: (1.1.1 upstream)
Revision ID: james.westby@ubuntu.com-20040313140521-di3kb1he8x7hhby6

Tags: 1.100.2-2

03_unitcell_test.patch: Read in values as doubles, not floats.

files added:
Doxyfile

Makefile.am

NEWS

acinclude.m4

aclocal.m4

bc32.mak

debian/compat

debian/libopenbabel-dev.dirs

debian/libopenbabel-dev.install

debian/libopenbabel0.install

debian/openbabel.install

debian/patches

debian/patches-old

debian/patches-old/01_strstream_h_fix.patch

debian/patches-old/02_math_headers.patch

debian/patches/03_unitcell_test.patch

depcomp

doc/FAQ.html

doc/Makefile.am

doc/Makefile.in

doc/Migration.html

doc/README.dioxin.pov

doc/README.povray

doc/babel31.inc

doc/dioxin.inc

doc/dioxin.mol2

doc/dioxin.png

doc/dioxin.pov

openbabel.pc.in

src/Makefile.am

src/README

src/babelconfig.h

src/babelconfig.h.in

src/bc32.mak

src/bondtyp.h

src/bondtyp.txt

src/bondtyper.h

src/borland.bat

src/chemtool.cpp

src/cml.cpp

src/crk.cpp

src/crk.h

src/isotope-small.txt

src/isotope.h

src/isotope.txt

src/math

src/math/Makefile.am

src/math/Makefile.in

src/math/matrix3x3.cpp

src/math/matrix3x3.h

src/math/vector3.cpp

src/math/vector3.h

src/mm3.cpp

src/oberror.cpp

src/oberror.h

src/povray.cpp

src/pqs.cpp

src/residue.cpp

src/shelx.cpp

src/snprintf.c

src/snprintf.h

src/strncasecmp.c

src/viewmol.cpp

src/windows

src/windows/Makefile.am

src/windows/Makefile.in

src/windows/winbabeldialog.aps

src/windows/winbabeldialog.clw

src/windows/winbabeldialog.cpp

src/windows/winbabeldialog.dsp

src/windows/winbabeldialog.dsw

src/windows/winbabeldialog.h

src/windows/winbabeldialog.ncb

src/windows/winbabeldialog.opt

src/windows/winbabeldialog.rc

src/windows/winbabeldialogDlg.cpp

src/windows/winbabeldialogDlg.h

src/zindo.cpp

test/Makefile.am

test/cml.sh

test/cmltest

test/cmltest/3d.head.sdf

test/cmltest/Makefile.am

test/cmltest/Makefile.in

test/cmltest/README-UNIX.txt

test/cmltest/cs2a.cml

test/cmltest/nsc2dcml.xml

test/cmltest/nsc2dmol.mol

test/cmltest/nsc3dcml.xml

test/cmltest/nsc3dmol.mol

test/cmltest/readme.txt

test/cmltest/roundtrip.bat

test/cmltest/roundtrip.sh

test/cmltest/test.bat

test/cmltest/test.sh

test/matrixtest.cpp

test/roundtrip.cpp

test/test-set.sh

test/unitcell.cpp

test/unitcell.txt

tools

tools/Makefile.am

tools/Makefile.in

tools/README

tools/obfit.cpp

tools/obgrep.cpp

tools/obrotate.cpp

files removed:
doc/FAQ

doc/Migration

doc/Primer.html

ltconfig

src/Makefile

src/StdAfx.cpp

src/StdAfx.h

src/Vector.cpp

src/Vector.h

src/binary_io.cpp

src/binary_io.h

src/bitgrid.cpp

src/bitgrid.h

src/commandline.cpp

src/commandline.h

src/ctransform.cpp

src/ctransform.h

src/cwrap.cpp

src/cwrap.h

src/quat.c

src/smarts.cpp

src/smarts.h

src/version.h.in

stamp-h.in

stamp.h

test/Makefile

files modified:
ChangeLog

Makefile.in

README

THANKS

config.guess

config.sub

configure

configure.in

debian/changelog

debian/control

debian/openbabel.docs

debian/rules

doc/babel.1

ltmain.sh

missing

src/Makefile.in

src/alchemy.cpp

src/amber.cpp

src/aromatic.h

src/aromatic.txt

src/atom.cpp

src/atomtyp.h

src/atomtyp.txt

src/balst.cpp

src/base.cpp

src/base.h

src/bgf.cpp

src/bin2hex.pl

src/binary.cpp

src/binary.h

src/bitvec.cpp

src/bitvec.h

src/bond.cpp

src/box.cpp

src/c3d.cpp

src/cacao.cpp

src/cache.cpp

src/car.cpp

src/ccc.cpp

src/chains.cpp

src/chains.h

src/chdrw.cpp

src/chiral.cpp

src/chiral.h

src/csr.cpp

src/cssr.cpp

src/data.cpp

src/data.h

src/dmol.cpp

src/element.h

src/element.txt

src/extable.h

src/extable.txt

src/feat.cpp

src/fh.cpp

src/fileformat.cpp

src/fileformat.h

src/gamess.cpp

src/gaussian.cpp

src/generic.cpp

src/generic.h

src/ghemical.cpp

src/grid.cpp

src/grid.h

src/gromos96.cpp

src/hin.cpp

src/jaguar.cpp

src/main.cpp

src/matrix.cpp

src/matrix.h

src/mdl.cpp

src/mmod.cpp

src/mol.cpp

src/mol.h

src/mol2.cpp

src/molchrg.cpp

src/molchrg.h

src/molvector.cpp

src/molvector.h

src/mopac.cpp

src/mpqc.cpp

src/nwchem.cpp

src/obifstream.h

src/oblib.dsp

src/obutil.cpp

src/obutil.h

src/parsmart.cpp

src/parsmart.h

src/parsmi.cpp

src/patty.cpp

src/patty.h

src/pdb.cpp

src/phmodel.cpp

src/phmodel.h

src/phmodel.txt

src/phmodeldata.h

src/qchem.cpp

src/rand.cpp

src/report.cpp

src/resdata.h

src/resdata.txt

src/ring.cpp

src/ring.h

src/rotor.cpp

src/rotor.h

src/smi.cpp

src/smi.h

src/tinker.cpp

src/tokenst.cpp

src/typer.cpp

src/typer.h

src/types.h

src/types.txt

src/unichem.cpp

src/xed.cpp

src/xyz.cpp

test/Makefile.in

test/attype.00.smi

test/main.cpp

test/ringresults.txt

test/ringtest.cpp

test/smartsresults.txt

test/smartstest.cpp

test/smartstest.txt

Show diffs side-by-side

added added

removed removed

debian/changelog

debian/libopenbabel-dev.dirs

debian/libopenbabel-dev.install

debian/libopenbabel0.install

debian/openbabel.docs

debian/openbabel.install

debian/patches-old/

debian/patches-old/01_strstream_h_fix.patch

debian/patches-old/02_math_headers.patch

debian/patches/

debian/patches/03_unitcell_test.patch

doc/Makefile.am

doc/Makefile.in

doc/Migration.html

doc/Primer.html

doc/README.dioxin.pov

doc/README.povray

doc/babel31.inc

doc/dioxin.mol2

openbabel.pc.in

src/Makefile.am

src/Makefile.in

src/alchemy.cpp

src/aromatic.txt

src/atomtyp.txt

src/babelconfig.h

src/babelconfig.h.in

src/binary_io.cpp

src/binary_io.h

src/bitgrid.cpp

src/bondtyp.txt

src/bondtyper.h

src/borland.bat

src/chemtool.cpp

src/commandline.cpp

src/commandline.h

src/ctransform.cpp

src/ctransform.h

src/element.txt

src/extable.txt

src/fileformat.cpp

src/fileformat.h

src/gaussian.cpp

src/generic.cpp

src/ghemical.cpp

src/gromos96.cpp

src/isotope-small.txt

src/isotope.txt

src/math/Makefile.am

src/math/Makefile.in

src/math/matrix3x3.cpp

src/math/matrix3x3.h

src/math/vector3.cpp

src/math/vector3.h

src/molchrg.cpp

src/molvector.cpp

src/molvector.h

src/oberror.cpp

src/obifstream.h

src/parsmart.cpp

src/phmodel.cpp

src/phmodel.txt

src/phmodeldata.h

src/resdata.txt

src/residue.cpp

src/strncasecmp.c

src/tokenst.cpp

src/unichem.cpp

src/version.h.in

src/viewmol.cpp

src/windows/Makefile.am

src/windows/Makefile.in

src/windows/winbabeldialog.aps

src/windows/winbabeldialog.clw

src/windows/winbabeldialog.cpp

src/windows/winbabeldialog.dsp

src/windows/winbabeldialog.dsw

src/windows/winbabeldialog.h

src/windows/winbabeldialog.ncb

src/windows/winbabeldialog.opt

src/windows/winbabeldialog.rc

src/windows/winbabeldialogDlg.cpp

src/windows/winbabeldialogDlg.h

test/Makefile.am

test/Makefile.in

test/attype.00.smi

test/cmltest/3d.head.sdf

test/cmltest/Makefile.am

test/cmltest/Makefile.in

test/cmltest/README-UNIX.txt

test/cmltest/cs2a.cml

test/cmltest/nsc2dcml.xml

test/cmltest/nsc2dmol.mol

test/cmltest/nsc3dcml.xml

test/cmltest/nsc3dmol.mol

test/cmltest/readme.txt

test/cmltest/roundtrip.bat

test/cmltest/roundtrip.sh

test/cmltest/test.bat

test/cmltest/test.sh

test/matrixtest.cpp

test/ringresults.txt

test/ringtest.cpp

test/roundtrip.cpp

test/smartsresults.txt

test/smartstest.cpp

test/smartstest.txt

test/test-set.sh

test/unitcell.cpp

test/unitcell.txt

tools/Makefile.am

tools/Makefile.in

tools/obfit.cpp

tools/obgrep.cpp

tools/obrotate.cpp

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