bindings_util.h

/*
 * This file is a part of
 *
 * ============================================
 * ###   Pteros molecular modeling library  ###
 * ============================================
 *
 * https://github.com/yesint/pteros
 *
 * (C) 2009-2021, Semen Yesylevskyy
 *
 * All works, which use Pteros, should cite the following papers:
 *
 *  1.  Semen O. Yesylevskyy, "Pteros 2.0: Evolution of the fast parallel
 *      molecular analysis library for C++ and python",
 *      Journal of Computational Chemistry, 2015, 36(19), 1480–1488.
 *      doi: 10.1002/jcc.23943.
 *
 *  2.  Semen O. Yesylevskyy, "Pteros: Fast and easy to use open-source C++
 *      library for molecular analysis",
 *      Journal of Computational Chemistry, 2012, 33(19), 1632–1636.
 *      doi: 10.1002/jcc.22989.
 *
 * This is free software distributed under Artistic License:
 * http://www.opensource.org/licenses/artistic-license-2.0.php
 *
*/
 
 
#pragma once
 
#include <pybind11/pybind11.h>
#include <pybind11/functional.h>
#include <pybind11/operators.h>
#include <pybind11/stl.h>
#include <pybind11/eigen.h>
#include <pybind11/operators.h>
 
 
namespace py = pybind11;
 
// Aux function to create py::array on top of std::vector<POD>* which owns the vector
template<class T>
py::array vector_to_array(std::vector<T>* ptr, size_t sz=-1){
    if(sz==-1) sz=ptr->size();
    auto capsule = py::capsule(ptr, [](void *v) { delete reinterpret_cast<std::vector<T>*>(v); });
    return py::array(sz, ptr->data(), capsule);
}