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Bring Ruby bindings into synch with Python bindings

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This commit is contained in:
Noel O'Boyle
2010-06-06 15:10:17 +00:00
parent f6618293e8
commit 994b94ce67
1 changed files with 99 additions and 19 deletions
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scripts/openbabel-ruby.i
+99 -19
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@@ -58,31 +58,101 @@
%include "std_string.i"
namespace std {
%template (VectorInt) vector<int>;
%template (VectorUnsignedInt) vector<unsigned int>;
%template (VVInt) vector< vector<int> >;
%template (VectorDouble) vector<double>;
%template (VectorString) vector<std::string>;
%template (VVector3) vector<OpenBabel::vector3>;
%template (VectorMol) vector<OpenBabel::OBMol>;
%template (VectorBond) vector<OpenBabel::OBBond>;
%template (VectorResidue) vector<OpenBabel::OBResidue>;
%template (VectorRing) vector<OpenBabel::OBRing>;
%template (VectorpRing) vector<OpenBabel::OBRing*>;
%template (VectorGenericData) vector<OpenBabel::OBGenericData*>;
%define VVTEMPLATE_WRAP(name, T)
%feature("ignore") vector< vector<T> >::append;
%feature("ignore") vector< vector<T> >::assign;
%feature("ignore") vector< vector<T> >::back;
%feature("ignore") vector< vector<T> >::begin;
%feature("ignore") vector< vector<T> >::capacity;
%feature("ignore") vector< vector<T> >::clear;
%feature("ignore") vector< vector<T> >::empty;
%feature("ignore") vector< vector<T> >::end;
%feature("ignore") vector< vector<T> >::erase;
%feature("ignore") vector< vector<T> >::front;
%feature("ignore") vector< vector<T> >::get_allocator;
%feature("ignore") vector< vector<T> >::insert;
%feature("ignore") vector< vector<T> >::pop;
%feature("ignore") vector< vector<T> >::pop_back;
%feature("ignore") vector< vector<T> >::push_back;
%feature("ignore") vector< vector<T> >::rbegin;
%feature("ignore") vector< vector<T> >::rend;
%feature("ignore") vector< vector<T> >::reserve;
%feature("ignore") vector< vector<T> >::resize;
%feature("ignore") vector< vector<T> >::size;
%feature("ignore") vector< vector<T> >::swap;
%template(VectorV ## name) vector< vector<T> >;
%enddef
%define VECTORTEMPLATE_WRAP(vectorname, T)
%feature("ignore") vector<T>::append;
%feature("ignore") vector<T>::assign;
%feature("ignore") vector<T>::back;
%feature("ignore") vector<T>::begin;
%feature("ignore") vector<T>::capacity;
%feature("ignore") vector<T>::clear;
%feature("ignore") vector<T>::empty;
%feature("ignore") vector<T>::end;
%feature("ignore") vector<T>::erase;
%feature("ignore") vector<T>::front;
%feature("ignore") vector<T>::get_allocator;
%feature("ignore") vector<T>::insert;
%feature("ignore") vector<T>::pop;
%feature("ignore") vector<T>::pop_back;
%feature("ignore") vector<T>::push_back;
%feature("ignore") vector<T>::rbegin;
%feature("ignore") vector<T>::rend;
%feature("ignore") vector<T>::reserve;
%feature("ignore") vector<T>::resize;
%feature("ignore") vector<T>::size;
%feature("ignore") vector<T>::swap;
%template(Vector ## vectorname) vector<T>;
%enddef
VECTORTEMPLATE_WRAP(Int, int)
VECTORTEMPLATE_WRAP(UnsignedInt, unsigned int)
VVTEMPLATE_WRAP(Int, int)
VECTORTEMPLATE_WRAP(Double, double)
VECTORTEMPLATE_WRAP(String, std::string)
VECTORTEMPLATE_WRAP(Vector3, OpenBabel::vector3)
VECTORTEMPLATE_WRAP(OBMol, OpenBabel::OBMol)
VECTORTEMPLATE_WRAP(OBBond, OpenBabel::OBBond)
VECTORTEMPLATE_WRAP(OBResidue, OpenBabel::OBResidue)
VECTORTEMPLATE_WRAP(OBRing, OpenBabel::OBRing)
VECTORTEMPLATE_WRAP(pOBRing, OpenBabel::OBRing*)
VECTORTEMPLATE_WRAP(pOBGenericData, OpenBabel::OBGenericData*)
}
%define CAST_GENERICDATA_TO(subclass)
%inline %{
OpenBabel::OBPairData *toPairData(OpenBabel::OBGenericData *data) {
return (OpenBabel::OBPairData *) data;
}
OpenBabel::OBUnitCell *toUnitCell(OpenBabel::OBGenericData *data) {
return (OpenBabel::OBUnitCell *) data;
OpenBabel::OB ## subclass *to ## subclass(OpenBabel::OBGenericData *data) {
return (OpenBabel::OB ## subclass *) data;
}
%}
%enddef
CAST_GENERICDATA_TO(AngleData)
CAST_GENERICDATA_TO(AtomClassData)
CAST_GENERICDATA_TO(ChiralData)
CAST_GENERICDATA_TO(CommentData)
CAST_GENERICDATA_TO(ConformerData)
CAST_GENERICDATA_TO(ExternalBondData)
CAST_GENERICDATA_TO(GridData)
CAST_GENERICDATA_TO(MatrixData)
CAST_GENERICDATA_TO(NasaThermoData)
CAST_GENERICDATA_TO(PairData)
// CAST_GENERICDATA_TO(PairTemplate)
CAST_GENERICDATA_TO(RateData)
CAST_GENERICDATA_TO(RotamerList)
CAST_GENERICDATA_TO(RotationData)
CAST_GENERICDATA_TO(SerialNums)
CAST_GENERICDATA_TO(SetData)
CAST_GENERICDATA_TO(SymmetryData)
CAST_GENERICDATA_TO(TorsionData)
CAST_GENERICDATA_TO(UnitCell)
CAST_GENERICDATA_TO(VectorData)
CAST_GENERICDATA_TO(VibrationData)
CAST_GENERICDATA_TO(VirtualBond)
// These methods are renamed to valid method names
%rename(inc) *::operator++;
@@ -96,6 +166,9 @@ OpenBabel::OBUnitCell *toUnitCell(OpenBabel::OBGenericData *data) {
%ignore *::operator/=;
%ignore *::operator-=;
%ignore *::operator!=;
%ignore *::operator&=;
%ignore *::operator^=;
%ignore *::operator|=;
%import <openbabel/babelconfig.h>
@@ -150,8 +223,15 @@ namespace std { class stringbuf {}; }
%ignore OpenBabel::OBForceField::VectorMultiply(const double *const, const double, double *);
%include <openbabel/forcefield.h>
%include <openbabel/builder.h>
%include <openbabel/op.h>
%warnfilter(503) OpenBabel::OBBitVec; // Not wrapping any of the overloaded operators
%include <openbabel/bitvec.h>
%include <openbabel/rotor.h>
%ignore OpenBabel::Swab;
%include <openbabel/rotamer.h>
# The following %ignores avoid warning messages due to shadowed classes.
# This does not imply a loss of functionality as (in this case)
# the shadowed class is identical (from the point of view of SWIG) to