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Studer Gabriel authored
OpenMM library run cmake with -DENABLE_MM=1 if you can successfully compile, check out the examples in the modules/mol/mm/examples directory
Studer Gabriel authoredOpenMM library run cmake with -DENABLE_MM=1 if you can successfully compile, check out the examples in the modules/mol/mm/examples directory
export_index.cc 1.54 KiB
#include <boost/python.hpp>
#include <ost/mol/mm/index.hh>
using namespace boost::python;
namespace{
template<typename T>
int Get(T index, uint i){
return index[i];
}
template<typename T>
void Set(T& index, uint i, uint v){
index[i] = v;
}
}
void export_Index()
{
class_<ost::mol::mm::Index<1> >("Index1", init<uint>())
.def("__getitem__",Get<ost::mol::mm::Index<1> >)
.def("__setitem__",Set<ost::mol::mm::Index<1> >)
;
class_<ost::mol::mm::Index<2> >("Index2", init<uint, uint>())
.def("__getitem__",Get<ost::mol::mm::Index<2> >)
.def("__setitem__",Set<ost::mol::mm::Index<2> >)
;
class_<ost::mol::mm::Index<3> >("Index3", init<uint, uint, uint>())
.def("__getitem__",Get<ost::mol::mm::Index<3> >)
.def("__setitem__",Set<ost::mol::mm::Index<3> >)
;
class_<ost::mol::mm::Index<4> >("Index4", init<uint, uint, uint,uint>())
.def("__getitem__",Get<ost::mol::mm::Index<4> >)
.def("__setitem__",Set<ost::mol::mm::Index<4> >)
;
class_<ost::mol::mm::Index<5> >("Index5", init<uint, uint, uint, uint, uint>())
.def("__getitem__",Get<ost::mol::mm::Index<5> >)
.def("__setitem__",Set<ost::mol::mm::Index<5> >)
;
class_<ost::mol::mm::Index<6> >("Index6", init<uint, uint, uint, uint, uint, uint>())
.def("__getitem__",Get<ost::mol::mm::Index<6> >)
.def("__setitem__",Set<ost::mol::mm::Index<6> >)
;
class_<ost::mol::mm::Index<7> >("Index7", init<uint, uint, uint, uint, uint, uint, uint>())
.def("__getitem__",Get<ost::mol::mm::Index<7> >)
.def("__setitem__",Set<ost::mol::mm::Index<7> >)
;
}