Source code for chemistry_tools.utils

#!/usr/bin/env python3
#
#  utils.py
"""
General utilities.
"""
#
#  Copyright (c) 2020 Dominic Davis-Foster <dominic@davis-foster.co.uk>
#
#  This program is free software; you can redistribute it and/or modify
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#
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#  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
#  GNU Lesser General Public License for more details.
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#  along with this program; if not, write to the Free Software
#  Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston,
#  MA 02110-1301, USA.
#
#  Based on ChemPy (https://github.com/bjodah/chempy)
#  |  Copyright (c) 2015-2018, Björn Dahlgren
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#  |  are permitted provided that the following conditions are met:
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#


# stdlib
import types
from collections import namedtuple, OrderedDict
from collections.abc import ItemsView, Mapping
from itertools import product


def identity(x):
	return x


[docs]def defaultnamedtuple(typename, field_names, defaults=()): """ Generates a new subclass of tuple with default values. Parameters ---------- typename : string The name of the class. field_names : str or iterable An iterable of splitable string. defaults : iterable Default values for ``field_names``, counting ``[-len(defaults):]``. Examples -------- >>> Body = defaultnamedtuple('Body', 'x y z density', (1.0,)) >>> Body.__doc__ 'Body(x, y, z, density)' >>> b = Body(10, z=3, y=5) >>> b._asdict() == dict(x=10, y=5, z=3, density=1.0) True Returns ------- A new tuple subclass named ``typename`` """ Tuple = namedtuple(typename, field_names) Tuple.__new__.__defaults__ = (None,) * len(Tuple._fields) if isinstance(defaults, Mapping): Tuple.__new__.__defaults__ = tuple(Tuple(**defaults)) else: nmissing = len(Tuple._fields) - len(defaults) defaults = (None,) * nmissing + tuple(defaults) Tuple.__new__.__defaults__ = tuple(Tuple(*defaults)) return Tuple