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util.hh
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/
util.hh
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//
// Copyright (C) 2018 by the adcc authors
//
// This file is part of adcc.
//
// adcc is free software: you can redistribute it and/or modify
// it under the terms of the GNU General Public License as published
// by the Free Software Foundation, either version 3 of the License, or
// (at your option) any later version.
//
// adcc is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
// GNU General Public License for more details.
//
// You should have received a copy of the GNU General Public License
// along with adcc. If not, see <http://www.gnu.org/licenses/>.
//
#pragma once
#include <adcc/Tensor.hh>
#include <pybind11/numpy.h>
#include <pybind11/pybind11.h>
#include <pybind11/stl.h>
#include <vector>
namespace adcc {
namespace py_iface {
namespace py = pybind11;
/** Make a py::tuple from a vector representing the shape */
py::tuple shape_tuple(const std::vector<size_t>& shape);
/** Check for the passed array shape and extract the array data pointer.
*
* \throws invalid_argument if the array size/dimension is not matching
*/
template <typename T>
T* extract_array_data(const py::array_t<T>& array, std::vector<size_t> shape);
/** Build an array using the provided data pointer
* and shape */
template <typename T>
py::array_t<T> make_array(T* data, std::vector<size_t> shape,
const py::handle& owner = py::handle());
/** Convert a list of tensors to a vector of shared pointers to Tensor */
template <typename Listlike>
std::vector<std::shared_ptr<Tensor>> extract_tensors(const Listlike& in);
/** Convert a vector of shared pointers of Tensor to a py::list */
py::list pack_tensors(const std::vector<std::shared_ptr<Tensor>>& list);
} // namespace py_iface
} // namespace adcc