chemotools 0.0.22__py3-none-any.whl → 0.1.6__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- chemotools/augmentation/__init__.py +16 -0
- chemotools/augmentation/baseline_shift.py +119 -0
- chemotools/augmentation/exponential_noise.py +117 -0
- chemotools/augmentation/index_shift.py +120 -0
- chemotools/augmentation/normal_noise.py +118 -0
- chemotools/augmentation/spectrum_scale.py +120 -0
- chemotools/augmentation/uniform_noise.py +124 -0
- chemotools/baseline/__init__.py +20 -8
- chemotools/baseline/{air_pls.py → _air_pls.py} +20 -32
- chemotools/baseline/{ar_pls.py → _ar_pls.py} +18 -31
- chemotools/baseline/{constant_baseline_correction.py → _constant_baseline_correction.py} +37 -31
- chemotools/baseline/{cubic_spline_correction.py → _cubic_spline_correction.py} +26 -19
- chemotools/baseline/{linear_correction.py → _linear_correction.py} +19 -28
- chemotools/baseline/{non_negative.py → _non_negative.py} +15 -23
- chemotools/baseline/{polynomial_correction.py → _polynomial_correction.py} +29 -31
- chemotools/baseline/{subtract_reference.py → _subtract_reference.py} +23 -27
- chemotools/datasets/__init__.py +5 -0
- chemotools/datasets/_base.py +122 -0
- chemotools/datasets/data/coffee_labels.csv +61 -0
- chemotools/datasets/data/coffee_spectra.csv +61 -0
- chemotools/datasets/data/fermentation_hplc.csv +35 -0
- chemotools/datasets/data/fermentation_spectra.csv +1630 -0
- chemotools/datasets/data/train_hplc.csv +22 -0
- chemotools/datasets/data/train_spectra.csv +22 -0
- chemotools/derivative/__init__.py +4 -2
- chemotools/derivative/{norris_william.py → _norris_william.py} +20 -25
- chemotools/derivative/{savitzky_golay.py → _savitzky_golay.py} +26 -36
- chemotools/feature_selection/__init__.py +4 -0
- chemotools/feature_selection/_index_selector.py +113 -0
- chemotools/feature_selection/_range_cut.py +111 -0
- chemotools/scale/__init__.py +5 -3
- chemotools/scale/{min_max_scaler.py → _min_max_scaler.py} +36 -39
- chemotools/scale/{norm_scaler.py → _norm_scaler.py} +18 -25
- chemotools/scale/_point_scaler.py +115 -0
- chemotools/scatter/__init__.py +13 -2
- chemotools/scatter/_extended_multiplicative_scatter_correction.py +183 -0
- chemotools/scatter/_multiplicative_scatter_correction.py +169 -0
- chemotools/scatter/_robust_normal_variate.py +101 -0
- chemotools/scatter/{standard_normal_variate.py → _standard_normal_variate.py} +21 -26
- chemotools/smooth/__init__.py +6 -4
- chemotools/smooth/{mean_filter.py → _mean_filter.py} +18 -25
- chemotools/smooth/{median_filter.py → _median_filter.py} +32 -24
- chemotools/smooth/{savitzky_golay_filter.py → _savitzky_golay_filter.py} +22 -24
- chemotools/smooth/{whittaker_smooth.py → _whittaker_smooth.py} +24 -29
- {chemotools-0.0.22.dist-info → chemotools-0.1.6.dist-info}/METADATA +19 -15
- chemotools-0.1.6.dist-info/RECORD +51 -0
- {chemotools-0.0.22.dist-info → chemotools-0.1.6.dist-info}/WHEEL +1 -2
- chemotools/scale/index_scaler.py +0 -97
- chemotools/scatter/extended_multiplicative_scatter_correction.py +0 -33
- chemotools/scatter/multiplicative_scatter_correction.py +0 -123
- chemotools/utils/check_inputs.py +0 -14
- chemotools/variable_selection/__init__.py +0 -1
- chemotools/variable_selection/range_cut.py +0 -121
- chemotools-0.0.22.dist-info/RECORD +0 -39
- chemotools-0.0.22.dist-info/top_level.txt +0 -2
- tests/fixtures.py +0 -89
- tests/test_functionality.py +0 -397
- tests/test_sklearn_compliance.py +0 -192
- {tests → chemotools/datasets/data}/__init__.py +0 -0
- {chemotools-0.0.22.dist-info → chemotools-0.1.6.dist-info}/LICENSE +0 -0
|
@@ -0,0 +1,35 @@
|
|
|
1
|
+
time,glucose,xylose,acetic_acid,ethanol,furfural
|
|
2
|
+
0,44.41567094,21.25891737,3.375666211,0,0.553330768
|
|
3
|
+
0.666666667,44.6426422,21.42072789,3.375666211,0,0.553330768
|
|
4
|
+
1.833333333,44.72109326,21.63050368,3.346897389,0,0.412503821
|
|
5
|
+
2.733333333,44.42979778,21.63156316,3.349886358,0,0.382085053
|
|
6
|
+
3.55,44.34579016,21.74685316,3.370435516,0.360890316,0.358981042
|
|
7
|
+
4.7,44.31254499,21.89826158,3.402566926,0.436324842,0.306313389
|
|
8
|
+
5.683333333,44.00702848,21.94189263,3.430775316,0.515675368,0.2689518
|
|
9
|
+
6.7,48.11275969,24.45178579,3.839703558,0.770215368,0.313648263
|
|
10
|
+
7.466666667,43.35700539,22.10697789,3.513532379,0.794948,0.214576358
|
|
11
|
+
8.65,41.82584406,21.89922474,3.546784653,1.267959579,0.133798326
|
|
12
|
+
9.616666667,41.13786685,21.83093684,3.530905758,1.540224632,0.083228053
|
|
13
|
+
10.58333333,39.57006992,21.78701684,3.552762589,2.175853263,0.046751968
|
|
14
|
+
11.63333333,39.63175713,23.37218211,3.827560874,3.453912,0.021523484
|
|
15
|
+
12.7,33.36546668,21.52484526,3.567520621,4.607689263,0.010342389
|
|
16
|
+
13.7,33.23747749,25.43883,4.229390316,8.117043579,0.009108758
|
|
17
|
+
14.98333333,26.25231915,25.54458474,4.272356737,11.34403368,0.007732674
|
|
18
|
+
15.98333333,15.03654831,21.40984421,3.678112453,12.93475411,0.005611895
|
|
19
|
+
16.98333333,6.137485389,20.18856,3.528290411,15.62813768,0.0049998
|
|
20
|
+
17.88333333,4.237707663,18.67698,3.697727558,18.753724,0.005131168
|
|
21
|
+
18.96666667,4.192595947,15.48228158,3.535762832,18.03833263,0
|
|
22
|
+
19.11666667,4.192407589,14.19184263,3.724815084,20.602076,0
|
|
23
|
+
20.88333333,4.003475356,11.58024,3.422368842,19.18819389,0
|
|
24
|
+
21.88333333,4.000035643,9.929483684,3.384633116,20.09526316,0
|
|
25
|
+
22.88333333,4.000094585,8.671503158,3.436566442,19.95572989,0
|
|
26
|
+
23.91666667,4.0,7.349183684,3.425544621,20.58187768,0
|
|
27
|
+
25.68333333,4.0,6.200136316,3.411347021,20.85084505,0
|
|
28
|
+
26.61666667,4.0,5.242468421,3.383138632,21.04520232,0
|
|
29
|
+
27.55,4.0,3.309699474,3.382765011,21.86673789,0
|
|
30
|
+
28.68333333,4.0,2.741532632,3.402566926,21.94361516,0
|
|
31
|
+
29.66666667,4.0,2.233852105,3.756012442,24.06423221,0
|
|
32
|
+
30.68333333,4.0,1.633804737,3.402193305,22.53039684,0
|
|
33
|
+
31.61666667,4.0,1.533154737,3.421995221,21.51780168,0
|
|
34
|
+
32.63333333,4.0,1.230434211,3.362215853,21.90507347,0
|
|
35
|
+
33.88333333,4.0,0.967684737,3.370061895,22.65715158,0
|