Source code for aquaduct.utils.maths

# -*- coding: utf-8 -*-

# Aqua-Duct, a tool facilitating analysis of the flow of solvent molecules in molecular dynamic simulations
# Copyright (C) 2016-2017  Tomasz Magdziarz, Alicja Płuciennik, Michał Stolarczyk <info@aquaduct.pl>
#
# This program 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.
#
# This program 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 this program.  If not, see <http://www.gnu.org/licenses/>.

import numpy as np


[docs]class NumpyDefaultsStorageTypes(object):
    float_default = np.float64
    int_default = np.int64

defaults = NumpyDefaultsStorageTypes()


[docs]def make_default_array(array_like):
    if isinstance(array_like,np.ndarray):
        return array_like.astype(defaults.float_default)
    return np.array(array_like,dtype=defaults.float_default)