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37 * \brief Exports Python bindings for gmxapi._gmxapi module.
39 * \author M. Eric Irrgang <ericirrgang@gmail.com>
41 * \ingroup module_python
48 #include "gmxapi/status.h"
49 #include "gmxapi/version.h"
51 #include "pybind11/pybind11.h"
53 namespace py = pybind11;
55 // Export Python module.
57 /// used to set __doc__
58 /// pybind11 uses const char* objects for docstrings. C++ raw literals can be used.
59 const char* const docstring = R"delimeter(
63 gmxapi._gmxapi provides Python access to the GROMACS C++ API so that client code can be
64 implemented in Python, C++, or a mixture. The classes provided are mirrored on the
65 C++ side in the gmxapi namespace as best as possible.
67 This documentation is generated from C++ extension code. Refer to C++ source
68 code and developer documentation for more details.
72 /*! \brief Export gmxapi._gmxapi Python module in shared object file.
74 * \ingroup module_python
77 // Instantiate the Python module
78 PYBIND11_MODULE(_gmxapi, m)
80 using namespace gmxpy::detail;
83 // Register exceptions and catch-all exception translators. We do this early
84 // to give more freedom to the other export functions. Note that bindings
85 // for C++ symbols should be expressed before those symbols are referenced
86 // in other bindings, and that exception translators are tried in reverse
87 // order of registration for uncaught C++ exceptions.
90 // Export core bindings
92 &gmxapi::Version::hasFeature,
93 "Check the gmxapi library for a named feature.");
95 py::class_<::gmxapi::Status> gmx_status(m, "Status", "Holds status for API operations.");
97 // Get bindings exported by the various components.
102 } // end pybind11 module