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* scripts/*: Update scripting wrappers with SWIG 1.3.29.

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This commit is contained in:
Geoffrey Hutchison
2006-03-28 22:38:06 +00:00
parent 48dcf15359
commit 5732e175fa
6 changed files with 88663 additions and 67705 deletions
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8
scripts/Makefile.am
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@@ -5,6 +5,8 @@ dist-hook:
(cd $(distdir)/perl; $(MAKE) distclean)
find $(distdir)/python -name CVS | xargs rm -rf
(cd $(distdir)/python; $(PYTHON) setup.py clean)
(cd $(distdir)/python; rm -rf build; rm -rf *.pyc *.so)
find $(distdir) -name "*~" | xargs rm -rf
# build the Perl and Python wrappers if --enable-maintainer-mode was set
# and SWIG is available -- please use the most recent version of SWIG
@@ -15,14 +17,14 @@ BUILT_SOURCES = perl/openbabel_perl.cpp \
python/openbabel_python.cpp
perl/openbabel_perl.cpp: openbabel.i $(top_srcdir)/src/mol.h $(top_srcdir)/src/obconversion.h
$(SWIG) -perl5 -c++ -o $@ \
$(SWIG) -perl5 -c++ -naturalvar -o $@ \
-I$(top_srcdir)/src $<;
sed -e "s/^@EXPORT.*/& sub dl_load_flags { 0x01 }/" <perl/OpenBabel.pm >perl/OpenBabel.new;
mv perl/OpenBabel.new perl/OpenBabel.pm;
python/openbabel_python.cpp: openbabel.i $(top_srcdir)/src/mol.h $(top_srcdir)/src/obconversion.h
$(SWIG) -python -modern -c++ \
-o $@ -I$(top_srcdir)/src $<;
$(SWIG) -python -modern -naturalvar -fastinit \
-c++ -o $@ -I$(top_srcdir)/src $<;
echo "import sys" >python/ob.py;
echo "if sys.platform.find(\"linux\") != -1:" >>python/ob.py;
echo " import dl" >>python/ob.py;

14
scripts/Makefile.in
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@@ -53,6 +53,7 @@ AMDEP_FALSE = @AMDEP_FALSE@
AMDEP_TRUE = @AMDEP_TRUE@
AMTAR = @AMTAR@
AR = @AR@
AS = @AS@
AUTOCONF = @AUTOCONF@
AUTOHEADER = @AUTOHEADER@
AUTOMAKE = @AUTOMAKE@
@@ -83,6 +84,7 @@ CXXFLAGS = @CXXFLAGS@
CYGPATH_W = @CYGPATH_W@
DEFS = @DEFS@
DEPDIR = @DEPDIR@
DLLTOOL = @DLLTOOL@
DOXYGEN = @DOXYGEN@
ECHO = @ECHO@
ECHO_C = @ECHO_C@
@@ -107,6 +109,7 @@ MAINT = @MAINT@
MAINTAINER_MODE_FALSE = @MAINTAINER_MODE_FALSE@
MAINTAINER_MODE_TRUE = @MAINTAINER_MODE_TRUE@
MAKEINFO = @MAKEINFO@
OBJDUMP = @OBJDUMP@
OBJEXT = @OBJEXT@
PACKAGE = @PACKAGE@
PACKAGE_BUGREPORT = @PACKAGE_BUGREPORT@
@@ -133,9 +136,12 @@ XML2_CONFIG = @XML2_CONFIG@
XML_CPPFLAGS = @XML_CPPFLAGS@
XML_LIBS = @XML_LIBS@
ac_ct_AR = @ac_ct_AR@
ac_ct_AS = @ac_ct_AS@
ac_ct_CC = @ac_ct_CC@
ac_ct_CXX = @ac_ct_CXX@
ac_ct_DLLTOOL = @ac_ct_DLLTOOL@
ac_ct_F77 = @ac_ct_F77@
ac_ct_OBJDUMP = @ac_ct_OBJDUMP@
ac_ct_RANLIB = @ac_ct_RANLIB@
ac_ct_STRIP = @ac_ct_STRIP@
am__fastdepCC_FALSE = @am__fastdepCC_FALSE@
@@ -355,16 +361,18 @@ dist-hook:
(cd $(distdir)/perl; $(MAKE) distclean)
find $(distdir)/python -name CVS | xargs rm -rf
(cd $(distdir)/python; $(PYTHON) setup.py clean)
(cd $(distdir)/python; rm -rf build; rm -rf *.pyc *.so)
find $(distdir) -name "*~" | xargs rm -rf
@BUILD_SWIG_TRUE@@MAINTAINER_MODE_TRUE@perl/openbabel_perl.cpp: openbabel.i $(top_srcdir)/src/mol.h $(top_srcdir)/src/obconversion.h
@BUILD_SWIG_TRUE@@MAINTAINER_MODE_TRUE@ $(SWIG) -perl5 -c++ -o $@ \
@BUILD_SWIG_TRUE@@MAINTAINER_MODE_TRUE@ $(SWIG) -perl5 -c++ -naturalvar -o $@ \
@BUILD_SWIG_TRUE@@MAINTAINER_MODE_TRUE@ -I$(top_srcdir)/src $<;
@BUILD_SWIG_TRUE@@MAINTAINER_MODE_TRUE@ sed -e "s/^@EXPORT.*/& sub dl_load_flags { 0x01 }/" <perl/OpenBabel.pm >perl/OpenBabel.new;
@BUILD_SWIG_TRUE@@MAINTAINER_MODE_TRUE@ mv perl/OpenBabel.new perl/OpenBabel.pm;
@BUILD_SWIG_TRUE@@MAINTAINER_MODE_TRUE@python/openbabel_python.cpp: openbabel.i $(top_srcdir)/src/mol.h $(top_srcdir)/src/obconversion.h
@BUILD_SWIG_TRUE@@MAINTAINER_MODE_TRUE@ $(SWIG) -python -modern -c++ \
@BUILD_SWIG_TRUE@@MAINTAINER_MODE_TRUE@ -o $@ -I$(top_srcdir)/src $<;
@BUILD_SWIG_TRUE@@MAINTAINER_MODE_TRUE@ $(SWIG) -python -modern -naturalvar -fastinit \
@BUILD_SWIG_TRUE@@MAINTAINER_MODE_TRUE@ -c++ -o $@ -I$(top_srcdir)/src $<;
@BUILD_SWIG_TRUE@@MAINTAINER_MODE_TRUE@ echo "import sys" >python/ob.py;
@BUILD_SWIG_TRUE@@MAINTAINER_MODE_TRUE@ echo "if sys.platform.find(\"linux\") != -1:" >>python/ob.py;
@BUILD_SWIG_TRUE@@MAINTAINER_MODE_TRUE@ echo " import dl" >>python/ob.py;

65
scripts/perl/OpenBabel.pm
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@@ -1,4 +1,5 @@
# This file was automatically generated by SWIG
# This file was created automatically by SWIG 1.3.29.
# Don't modify this file, modify the SWIG interface instead.
package Chemistry::OpenBabel;
require Exporter;
require DynaLoader;
@@ -48,10 +49,6 @@ package Chemistry::OpenBabel;
*DoubleMultiply = *Chemistry::OpenBabelc::DoubleMultiply;
*DoubleAdd = *Chemistry::OpenBabelc::DoubleAdd;
*DoubleModulus = *Chemistry::OpenBabelc::DoubleModulus;
*dot = *Chemistry::OpenBabelc::dot;
*cross = *Chemistry::OpenBabelc::cross;
*vectorAngle = *Chemistry::OpenBabelc::vectorAngle;
*CalcTorsionAngle = *Chemistry::OpenBabelc::CalcTorsionAngle;
*Point2Plane = *Chemistry::OpenBabelc::Point2Plane;
*Trim = *Chemistry::OpenBabelc::Trim;
*tokenize = *Chemistry::OpenBabelc::tokenize;
@@ -69,6 +66,7 @@ package Chemistry::OpenBabel;
############# Class : Chemistry::OpenBabel::vectorInt ##############
package Chemistry::OpenBabel::vectorInt;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -112,6 +110,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::vvInt ##############
package Chemistry::OpenBabel::vvInt;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -155,6 +154,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::vectorDouble ##############
package Chemistry::OpenBabel::vectorDouble;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -198,6 +198,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::vVector3 ##############
package Chemistry::OpenBabel::vVector3;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -241,6 +242,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::vectorMol ##############
package Chemistry::OpenBabel::vectorMol;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -284,6 +286,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::vectorBond ##############
package Chemistry::OpenBabel::vectorBond;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -327,6 +330,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::vectorResidue ##############
package Chemistry::OpenBabel::vectorResidue;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -370,6 +374,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::vectorRing ##############
package Chemistry::OpenBabel::vectorRing;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -413,6 +418,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBGlobalDataBase ##############
package Chemistry::OpenBabel::OBGlobalDataBase;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -454,6 +460,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBElement ##############
package Chemistry::OpenBabel::OBElement;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -503,6 +510,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBElementTable ##############
package Chemistry::OpenBabel::OBElementTable;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBGlobalDataBase Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -555,6 +563,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBIsotopeTable ##############
package Chemistry::OpenBabel::OBIsotopeTable;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBGlobalDataBase Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -594,6 +603,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBTypeTable ##############
package Chemistry::OpenBabel::OBTypeTable;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBGlobalDataBase Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -637,6 +647,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBResidueData ##############
package Chemistry::OpenBabel::OBResidueData;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBGlobalDataBase Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -679,6 +690,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBStopwatch ##############
package Chemistry::OpenBabel::OBStopwatch;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -718,6 +730,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBSqrtTbl ##############
package Chemistry::OpenBabel::OBSqrtTbl;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -756,6 +769,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::DoubleType ##############
package Chemistry::OpenBabel::DoubleType;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -796,6 +810,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBRandom ##############
package Chemistry::OpenBabel::OBRandom;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -836,6 +851,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::vector3 ##############
package Chemistry::OpenBabel::vector3;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -886,6 +902,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBGenericData ##############
package Chemistry::OpenBabel::OBGenericData;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -920,6 +937,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBCommentData ##############
package Chemistry::OpenBabel::OBCommentData;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBGenericData Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -959,6 +977,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBExternalBond ##############
package Chemistry::OpenBabel::OBExternalBond;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1001,6 +1020,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBExternalBondData ##############
package Chemistry::OpenBabel::OBExternalBondData;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBGenericData Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1040,6 +1060,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBPairData ##############
package Chemistry::OpenBabel::OBPairData;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBGenericData Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1079,6 +1100,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBVirtualBond ##############
package Chemistry::OpenBabel::OBVirtualBond;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBGenericData Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1120,6 +1142,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBRingData ##############
package Chemistry::OpenBabel::OBRingData;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBGenericData Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1160,6 +1183,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBUnitCell ##############
package Chemistry::OpenBabel::OBUnitCell;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBGenericData Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1212,6 +1236,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBConformerData ##############
package Chemistry::OpenBabel::OBConformerData;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBGenericData Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1261,6 +1286,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBSymmetryData ##############
package Chemistry::OpenBabel::OBSymmetryData;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBGenericData Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1303,6 +1329,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBTorsion ##############
package Chemistry::OpenBabel::OBTorsion;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1350,6 +1377,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBTorsionData ##############
package Chemistry::OpenBabel::OBTorsionData;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBGenericData Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1386,6 +1414,10 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBAngle ##############
package Chemistry::OpenBabel::OBAngle;
use overload
"==" => sub { $_[0]->__eq__($_[1])},
"fallback" => 1;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1406,6 +1438,7 @@ sub DESTROY {
}
}
*__eq__ = *Chemistry::OpenBabelc::OBAngle___eq__;
*Clear = *Chemistry::OpenBabelc::OBAngle_Clear;
*GetAngle = *Chemistry::OpenBabelc::OBAngle_GetAngle;
*SetAngle = *Chemistry::OpenBabelc::OBAngle_SetAngle;
@@ -1426,6 +1459,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBAngleData ##############
package Chemistry::OpenBabel::OBAngleData;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBGenericData Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1461,6 +1495,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBChiralData ##############
package Chemistry::OpenBabel::OBChiralData;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBGenericData Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1504,6 +1539,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBSerialNums ##############
package Chemistry::OpenBabel::OBSerialNums;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBGenericData Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1543,6 +1579,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBBase ##############
package Chemistry::OpenBabel::OBBase;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1588,6 +1625,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBNodeBase ##############
package Chemistry::OpenBabel::OBNodeBase;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBBase Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1650,6 +1688,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBEdgeBase ##############
package Chemistry::OpenBabel::OBEdgeBase;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBBase Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1704,6 +1743,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBGraphBase ##############
package Chemistry::OpenBabel::OBGraphBase;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBBase Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1745,6 +1785,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBFormat ##############
package Chemistry::OpenBabel::OBFormat;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1787,9 +1828,11 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::CharPtrLess ##############
package Chemistry::OpenBabel::CharPtrLess;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
*__call__ = *Chemistry::OpenBabelc::CharPtrLess___call__;
sub new {
my $pkg = shift;
my $self = Chemistry::OpenBabelc::new_CharPtrLess(@_);
@@ -1823,6 +1866,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBConversion ##############
package Chemistry::OpenBabel::OBConversion;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1909,6 +1953,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBResidue ##############
package Chemistry::OpenBabel::OBResidue;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBBase Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -1975,6 +2020,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBAtom ##############
package Chemistry::OpenBabel::OBAtom;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBNodeBase Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -2133,6 +2179,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBBond ##############
package Chemistry::OpenBabel::OBBond;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBEdgeBase Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -2220,6 +2267,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBMol ##############
package Chemistry::OpenBabel::OBMol;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel::OBGraphBase Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -2273,6 +2321,7 @@ sub DESTROY {
*GetInternalCoord = *Chemistry::OpenBabelc::OBMol_GetInternalCoord;
*GetTorsion = *Chemistry::OpenBabelc::OBMol_GetTorsion;
*GetFormula = *Chemistry::OpenBabelc::OBMol_GetFormula;
*GetSpacedFormula = *Chemistry::OpenBabelc::OBMol_GetSpacedFormula;
*GetEnergy = *Chemistry::OpenBabelc::OBMol_GetEnergy;
*GetMolWt = *Chemistry::OpenBabelc::OBMol_GetMolWt;
*GetExactMass = *Chemistry::OpenBabelc::OBMol_GetExactMass;
@@ -2400,6 +2449,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBInternalCoord ##############
package Chemistry::OpenBabel::OBInternalCoord;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -2448,6 +2498,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBRTree ##############
package Chemistry::OpenBabel::OBRTree;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -2486,6 +2537,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBRing ##############
package Chemistry::OpenBabel::OBRing;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -2534,6 +2586,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBRingSearch ##############
package Chemistry::OpenBabel::OBRingSearch;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -2577,6 +2630,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBSmartsPattern ##############
package Chemistry::OpenBabel::OBSmartsPattern;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();
@@ -2631,6 +2685,7 @@ sub ACQUIRE {
############# Class : Chemistry::OpenBabel::OBSSMatch ##############
package Chemistry::OpenBabel::OBSSMatch;
use vars qw(@ISA %OWNER %ITERATORS %BLESSEDMEMBERS);
@ISA = qw( Chemistry::OpenBabel );
%OWNER = ();
%ITERATORS = ();

34098
scripts/perl/openbabel_perl.cpp
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1662
scripts/python/openbabel.py
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49949
scripts/python/openbabel_python.cpp
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