File size: 6,066 Bytes
846d13f
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
"""Tests for multi-format file parsing functionality."""

import pytest
import numpy as np
from utils.multifile import (
    parse_spectrum_data,
    detect_file_format,
    parse_json_spectrum,
    parse_csv_spectrum,
    parse_txt_spectrum,
)


def test_detect_file_format():
    """Test automatic file format detection."""
    # JSON detection
    json_content = '{"wavenumbers": [1, 2, 3], "intensities": [0.1, 0.2, 0.3]}'
    assert detect_file_format("test.json", json_content) == "json"

    # CSV detection
    csv_content = "wavenumber,intensity\n1000,0.5\n1001,0.6"
    assert detect_file_format("test.csv", csv_content) == "csv"

    # TXT detection (default)
    txt_content = "1000 0.5\n1001 0.6"
    assert detect_file_format("test.txt", txt_content) == "txt"


def test_parse_json_spectrum():
    """Test JSON spectrum parsing."""
    # Test object format
    json_content = '{"wavenumbers": [1000, 1001, 1002], "intensities": [0.1, 0.2, 0.3]}'
    x, y = parse_json_spectrum(json_content)

    expected_x = np.array([1000, 1001, 1002])
    expected_y = np.array([0.1, 0.2, 0.3])

    np.testing.assert_array_equal(x, expected_x)
    np.testing.assert_array_equal(y, expected_y)

    # Test alternative key names
    json_content_alt = '{"x": [1000, 1001, 1002], "y": [0.1, 0.2, 0.3]}'
    x_alt, y_alt = parse_json_spectrum(json_content_alt)
    np.testing.assert_array_equal(x_alt, expected_x)
    np.testing.assert_array_equal(y_alt, expected_y)

    # Test array of objects format
    json_array = """[

        {"wavenumber": 1000, "intensity": 0.1},

        {"wavenumber": 1001, "intensity": 0.2},

        {"wavenumber": 1002, "intensity": 0.3}

    ]"""
    x_arr, y_arr = parse_json_spectrum(json_array)
    np.testing.assert_array_equal(x_arr, expected_x)
    np.testing.assert_array_equal(y_arr, expected_y)


def test_parse_csv_spectrum():
    """Test CSV spectrum parsing."""
    # Test with headers
    csv_with_headers = """wavenumber,intensity

1000,0.1

1001,0.2

1002,0.3

1003,0.4

1004,0.5

1005,0.6

1006,0.7

1007,0.8

1008,0.9

1009,1.0

1010,1.1

1011,1.2"""

    x, y = parse_csv_spectrum(csv_with_headers)
    expected_x = np.array(
        [1000, 1001, 1002, 1003, 1004, 1005, 1006, 1007, 1008, 1009, 1010, 1011]
    )
    expected_y = np.array([0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0, 1.1, 1.2])

    np.testing.assert_array_equal(x, expected_x)
    np.testing.assert_array_equal(y, expected_y)

    # Test without headers
    csv_no_headers = """1000,0.1

1001,0.2

1002,0.3

1003,0.4

1004,0.5

1005,0.6

1006,0.7

1007,0.8

1008,0.9

1009,1.0

1010,1.1

1011,1.2"""

    x_no_h, y_no_h = parse_csv_spectrum(csv_no_headers)
    np.testing.assert_array_equal(x_no_h, expected_x)
    np.testing.assert_array_equal(y_no_h, expected_y)

    # Test semicolon delimiter
    csv_semicolon = """1000;0.1

1001;0.2

1002;0.3

1003;0.4

1004;0.5

1005;0.6

1006;0.7

1007;0.8

1008;0.9

1009;1.0

1010;1.1

1011;1.2"""

    x_semi, y_semi = parse_csv_spectrum(csv_semicolon)
    np.testing.assert_array_equal(x_semi, expected_x)
    np.testing.assert_array_equal(y_semi, expected_y)


def test_parse_txt_spectrum():
    """Test TXT spectrum parsing."""
    txt_content = """# Comment line

1000 0.1

1001 0.2

1002 0.3

1003 0.4

1004 0.5

1005 0.6

1006 0.7

1007 0.8

1008 0.9

1009 1.0

1010 1.1

1011 1.2"""

    x, y = parse_txt_spectrum(txt_content)
    expected_x = np.array(
        [1000, 1001, 1002, 1003, 1004, 1005, 1006, 1007, 1008, 1009, 1010, 1011]
    )
    expected_y = np.array([0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0, 1.1, 1.2])

    np.testing.assert_array_equal(x, expected_x)
    np.testing.assert_array_equal(y, expected_y)

    # Test comma-separated
    txt_comma = """1000,0.1

1001,0.2

1002,0.3

1003,0.4

1004,0.5

1005,0.6

1006,0.7

1007,0.8

1008,0.9

1009,1.0

1010,1.1

1011,1.2"""

    x_comma, y_comma = parse_txt_spectrum(txt_comma)
    np.testing.assert_array_equal(x_comma, expected_x)
    np.testing.assert_array_equal(y_comma, expected_y)


def test_parse_spectrum_data_integration():
    """Test integrated spectrum data parsing with format detection."""
    # Test automatic format detection and parsing
    test_cases = [
        (
            '{"wavenumbers": [1000, 1001, 1002, 1003, 1004, 1005, 1006, 1007, 1008, 1009, 1010, 1011], "intensities": [0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0, 1.1, 1.2]}',
            "test.json",
        ),
        (
            "wavenumber,intensity\n1000,0.1\n1001,0.2\n1002,0.3\n1003,0.4\n1004,0.5\n1005,0.6\n1006,0.7\n1007,0.8\n1008,0.9\n1009,1.0\n1010,1.1\n1011,1.2",
            "test.csv",
        ),
        (
            "1000 0.1\n1001 0.2\n1002 0.3\n1003 0.4\n1004 0.5\n1005 0.6\n1006 0.7\n1007 0.8\n1008 0.9\n1009 1.0\n1010 1.1\n1011 1.2",
            "test.txt",
        ),
    ]

    for content, filename in test_cases:
        x, y = parse_spectrum_data(content, filename)
        assert len(x) >= 10
        assert len(y) >= 10
        assert len(x) == len(y)


def test_insufficient_data_points():
    """Test handling of insufficient data points."""
    # Test with too few points
    insufficient_data = "1000 0.1\n1001 0.2"  # Only 2 points, need at least 10

    with pytest.raises(ValueError, match="Insufficient data points"):
        parse_txt_spectrum(insufficient_data, "test.txt")


def test_invalid_json():
    """Test handling of invalid JSON."""
    invalid_json = (
        '{"wavenumbers": [1000, 1001], "intensities": [0.1}'  # Missing closing bracket
    )

    with pytest.raises(ValueError, match="Invalid JSON format"):
        parse_json_spectrum(invalid_json)


def test_empty_file():
    """Test handling of empty files."""
    empty_content = ""

    with pytest.raises(ValueError, match="No data lines found"):
        parse_txt_spectrum(empty_content, "empty.txt")


if __name__ == "__main__":
    pytest.main([__file__])