void export_Dihedrals() { py::class_<DihedralOPLS, SHARED(DihedralOPLS)> ( "SimDihedralOPLS", py::init<>()) .def_readwrite("type", &DihedralOPLS::type) .def_readonly("coefs", &DihedralOPLS::coefs) .def_readonly("ids", &DihedralOPLS::ids) ; py::class_<DihedralCHARMM, SHARED(DihedralCHARMM)> ( "SimDihedralCHARMM", py::init<>()) .def_readwrite("type", &DihedralCHARMM::type) .def_readwrite("k", &DihedralCHARMM::k) .def_readwrite("n", &DihedralCHARMM::n) .def_readwrite("d", &DihedralCHARMM::d) .def_readonly("ids", &DihedralCHARMM::ids) ; }
void export_Dihedrals() { py::class_<DihedralOPLS, SHARED(DihedralOPLS)> ( "SimDihedralOPLS", py::init<>()) .def_readwrite("type", &DihedralOPLS::type) .def_readonly("coefs", &DihedralOPLS::coefs) .def_readonly("ids", &DihedralOPLS::ids) ; }
void export_BondHarmonic() { boost::python::class_<BondHarmonic,SHARED(BondHarmonic)> ( "BondHarmonic", boost::python::init<>()) // .def(boost::python::init<int, int ,double, double,int>()) .def_readonly("ids", &BondHarmonic::ids) .def_readwrite("k", &BondHarmonic::k) .def_readwrite("r0", &BondHarmonic::r0) ; }
void export_Impropers() { py::class_<ImproperHarmonic, SHARED(ImproperHarmonic)> ( "SimImproperHarmonic", py::init<>()) .def_readwrite("type", &ImproperHarmonic::type) .def_readonly("thetaEq", &ImproperHarmonic::thetaEq) .def_readonly("k", &ImproperHarmonic::k) .def_readonly("ids", &ImproperHarmonic::ids) ; }
void export_BondFENE() { py::class_<BondFENE,SHARED(BondFENE)> ( "BondFENE", py::init<>()) // .def(py::init<int, int ,double, double,int>()) .def_readonly("ids", &BondFENE::ids) .def_readwrite("k", &BondFENE::k) .def_readwrite("r0", &BondFENE::r0) .def_readwrite("eps", &BondFENE::eps) .def_readwrite("sig", &BondFENE::sig) ; }
void export_Fix() { boost::python::class_<Fix, SHARED(Fix), boost::noncopyable> ( "Fix", boost::python::no_init ) .def_readonly("handle", &Fix::handle) .def_readonly("type", &Fix::type) .def_readwrite("applyEvery", &Fix::applyEvery) .def_readwrite("groupTag", &Fix::groupTag) ; }
// export FixExternal() void export_FixExternal() { py::class_<FixExternal, SHARED(FixExternal), py::bases<Fix> > ( "FixExternal", py::no_init ); }
int_fast8_t algo_trade_platform::stop() { return SHARED().stop(); }
int_fast8_t algo_trade_platform::init(const string_t &cf) { return SHARED().init(cf); }