Frequently Asked Questions

How can I wrap a new method with pyOpenMS?

Add a .def(...) call for the method in the appropriate src/pyOpenMS/bindings/bind_<domain>.cpp file using nanobind syntax. See the wrapping guide for details.

How can I wrap a new class with pyOpenMS?

Add a nb::class_<OpenMS::ClassName>(m, "ClassName", "docstring") block in the appropriate src/pyOpenMS/bindings/bind_<domain>.cpp file and use the procedure outlined.

Can I use multiple output parameters?

Python does not support passing primitive types (int, double, etc.) by reference, therefore void calculate(double &) will not work.