Member Site Forums PyRosetta PyRosetta – General Creating a vector1 of AtomID objects Reply To: Creating a vector1 of AtomID objects


    I assume the problem is that there isn’t an interface, (or we don’t know the interface), for doing C++ templating in python. In C++:

    utility::vector1< core::id::AtomID > my_vector;

    You may be able to circumvent this by extracting an AtomID vector from the code and modifying it – set a local variable equal to a return value that is a vector1, empty it, then put your own stuff in it? This is almost certainly not the best way to do it but it’s the first I can think of.

    The only function I can find that returns the right type is protocols::constraints_additional::SequenceProfileConstraint.atom_IDs().