diffpy.morph/tests/test_morphshift.py at main · diffpy/diffpy.morph · GitHub

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#!/usr/bin/env python

import os

import numpy

import pytest

import diffpy.morph.morphpy as morphpy

from diffpy.morph.morphapp import create_option_parser, single_morph

from diffpy.morph.morphs.morphshift import MorphShift

from tests.helper import create_morph_data_file

# useful variables

thisfile = locals().get("__file__", "file.py")

tests_dir = os.path.dirname(os.path.abspath(thisfile))

# testdata_dir = os.path.join(tests_dir, 'testdata')

class TestMorphShift:

@pytest.fixture

def setup(self):

self.hshift = 2.0

self.vshift = 3.0

# Original dataset goes from 0.1 to 5.0

self.x_morph = numpy.arange(0.01, 5 + self.hshift, 0.01)

self.y_morph = numpy.arange(0.01, 5 + self.hshift, 0.01)

# New dataset is moved to the right by 2.0 and upward by 3.0

self.x_target = numpy.arange(0.01 + self.hshift, 5 + self.hshift, 0.01)

self.y_target = numpy.arange(0.01 + self.vshift, 5 + self.vshift, 0.01)

return

def test_morph(self, setup):

"""Check MorphScale.morph()"""

config = {"hshift": self.hshift, "vshift": self.vshift}

morph = MorphShift(config)

x_morph, y_morph, x_target, y_target = morph(

self.x_morph, self.y_morph, self.x_target, self.y_target

)

# Only care about the shifted data past the shift

# Everything to left of shift is outside our input data domain

assert numpy.allclose(y_morph[x_morph > self.hshift], y_target)

assert numpy.allclose(self.x_target, x_target)

assert numpy.allclose(self.y_target, y_target)

return

@pytest.mark.parametrize(

"hshift, wmsg_gen",

[

# extrapolate below

(

0.01,

lambda x: (

"Warning: points with grid value below "

f"{x[0]} are extrapolated."

# extrapolate above

(

-0.01,

lambda x: (

"Warning: points with grid value above "

f"{x[1]} are extrapolated."

)

def test_morphshift_extrapolate(user_filesystem, capsys, hshift, wmsg_gen):

x_morph = numpy.linspace(0, 10, 101)

y_morph = numpy.sin(x_morph)

x_target = x_morph.copy()

y_target = y_morph.copy()

with pytest.warns() as w:

morphpy.morph_arrays(

numpy.array([x_morph, y_morph]).T,

numpy.array([x_target, y_target]).T,

hshift=hshift,

apply=True,

)

assert len(w) == 1

assert w[0].category is UserWarning

actual_wmsg = str(w[0].message)

expected_wmsg = wmsg_gen([min(x_morph), max(x_morph)])

assert actual_wmsg == expected_wmsg

# CLI test

morph_file, target_file = create_morph_data_file(

user_filesystem / "cwd_dir", x_morph, y_morph, x_target, y_target

)

parser = create_option_parser()

opts, pargs = parser.parse_args(

[

f"--hshift={hshift}",

f"{morph_file.as_posix()}",

f"{target_file.as_posix()}",

"--apply",

"-n",

]

)

with pytest.warns(UserWarning, match=expected_wmsg):

single_morph(parser, opts, pargs, stdout_flag=False)

def test_morphshift_no_warning(user_filesystem):

# Apply a shift with no extrapolation

# There should be no warning or errors produced