chemreac.util.pyutil

Utility functions used throughout chemreac.

chemreac.util.pyutil.monotonic(arr, positive=0, strict=False)

Check monotonicity of a serie

Parameters:

arr: array_like

Array to be checked for monotonicity

positive: -1, 0 or 1 (default: 0)

-1: negative, 1: positive, 0: either

strict: bool (default: False)

Disallow zero difference between neighboring instances

Returns:

bool

Examples

>>> monotonic([0, 0, -1, -2])
True
>>> monotonic([0, 0, 1, 2], strict=True)
False
>>> monotonic([1, 2, 3], -1)
False

chemreac.util.pyutil.set_dict_defaults_inplace(dct, *args)

Modifies a dictionary in-place by populating key/value pairs present in the default dictionaries which have no key in original dictionary dct. Useful for passing along keyword argument dictionaries between functions.

Parameters:

dct: dict

*args: dictionaries

Returns:

dct: (possibly modified) input dictionary

Examples

>>> d = {1: None}
>>> set_dict_defaults_inplace(d, {2: []})
>>> d == {1: None, 2: []}
True
>>> f = {'a': 1, 'b': 3}
>>> g = {'a': 1}
>>> set_dict_defaults_inplace(g, {'b': 2, 'a': 7}, {'b': 3})
>>> f == g
True
>>> h = {42: True, 'b': 3}
>>> i = {}
>>> set_dict_defaults_inplace(i, {42: True, 'b': 2}, {'b': 3})
>>> h == i
True