diffpy.morph/tests/test_morphshift.py at d3e5a91e947ff4c764ee580631dd19f270d033eb · Sparks29032/diffpy.morph · GitHub

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
#!/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
    x_morph = numpy.linspace(0, 10, 101)
    y_morph = numpy.sin(x_morph)
    x_target = x_morph.copy()
    y_target = y_morph.copy()
    morphpy.morph_arrays(
        numpy.array([x_morph, y_morph]).T,
        numpy.array([x_target, y_target]).T,
        hshift=0,
        apply=True,
    )

    # 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(
        [
            "--scale=1",
            "--hshift=0",
            f"{morph_file.as_posix()}",
            f"{target_file.as_posix()}",
            "--apply",
            "-n",
        ]
    )
    single_morph(parser, opts, pargs, stdout_flag=False)