reflectorch 1.4.0__py3-none-any.whl → 1.5.0__py3-none-any.whl

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Files changed (96) hide show
  1. reflectorch/__init__.py +17 -17
  2. reflectorch/data_generation/__init__.py +128 -128
  3. reflectorch/data_generation/dataset.py +210 -210
  4. reflectorch/data_generation/likelihoods.py +80 -80
  5. reflectorch/data_generation/noise.py +470 -470
  6. reflectorch/data_generation/priors/__init__.py +60 -60
  7. reflectorch/data_generation/priors/base.py +55 -55
  8. reflectorch/data_generation/priors/exp_subprior_sampler.py +298 -298
  9. reflectorch/data_generation/priors/independent_priors.py +195 -195
  10. reflectorch/data_generation/priors/multilayer_models.py +311 -311
  11. reflectorch/data_generation/priors/multilayer_structures.py +104 -104
  12. reflectorch/data_generation/priors/no_constraints.py +206 -206
  13. reflectorch/data_generation/priors/parametric_models.py +841 -841
  14. reflectorch/data_generation/priors/parametric_subpriors.py +369 -369
  15. reflectorch/data_generation/priors/params.py +252 -252
  16. reflectorch/data_generation/priors/sampler_strategies.py +369 -369
  17. reflectorch/data_generation/priors/scaler_mixin.py +65 -65
  18. reflectorch/data_generation/priors/subprior_sampler.py +371 -371
  19. reflectorch/data_generation/priors/utils.py +118 -118
  20. reflectorch/data_generation/process_data.py +41 -41
  21. reflectorch/data_generation/q_generator.py +280 -280
  22. reflectorch/data_generation/reflectivity/__init__.py +102 -102
  23. reflectorch/data_generation/reflectivity/abeles.py +97 -97
  24. reflectorch/data_generation/reflectivity/kinematical.py +70 -70
  25. reflectorch/data_generation/reflectivity/memory_eff.py +105 -105
  26. reflectorch/data_generation/reflectivity/numpy_implementations.py +120 -120
  27. reflectorch/data_generation/reflectivity/smearing.py +138 -138
  28. reflectorch/data_generation/reflectivity/smearing_pointwise.py +109 -109
  29. reflectorch/data_generation/scale_curves.py +112 -112
  30. reflectorch/data_generation/smearing.py +98 -98
  31. reflectorch/data_generation/utils.py +223 -223
  32. reflectorch/extensions/jupyter/__init__.py +11 -6
  33. reflectorch/extensions/jupyter/api.py +85 -0
  34. reflectorch/extensions/jupyter/callbacks.py +34 -34
  35. reflectorch/extensions/jupyter/components.py +758 -0
  36. reflectorch/extensions/jupyter/custom_select.py +268 -0
  37. reflectorch/extensions/jupyter/log_widget.py +241 -0
  38. reflectorch/extensions/jupyter/model_selection.py +495 -0
  39. reflectorch/extensions/jupyter/plotly_plot_manager.py +329 -0
  40. reflectorch/extensions/jupyter/widget.py +625 -0
  41. reflectorch/extensions/matplotlib/__init__.py +5 -5
  42. reflectorch/extensions/matplotlib/losses.py +32 -32
  43. reflectorch/extensions/refnx/refnx_conversion.py +76 -76
  44. reflectorch/inference/__init__.py +28 -24
  45. reflectorch/inference/inference_model.py +847 -1374
  46. reflectorch/inference/input_interface.py +239 -0
  47. reflectorch/inference/loading_data.py +36 -36
  48. reflectorch/inference/multilayer_fitter.py +171 -171
  49. reflectorch/inference/multilayer_inference_model.py +193 -193
  50. reflectorch/inference/plotting.py +523 -516
  51. reflectorch/inference/preprocess_exp/__init__.py +6 -6
  52. reflectorch/inference/preprocess_exp/attenuation.py +36 -36
  53. reflectorch/inference/preprocess_exp/cut_with_q_ratio.py +31 -31
  54. reflectorch/inference/preprocess_exp/footprint.py +81 -81
  55. reflectorch/inference/preprocess_exp/interpolation.py +19 -19
  56. reflectorch/inference/preprocess_exp/normalize.py +21 -21
  57. reflectorch/inference/preprocess_exp/preprocess.py +121 -121
  58. reflectorch/inference/query_matcher.py +81 -81
  59. reflectorch/inference/record_time.py +43 -43
  60. reflectorch/inference/sampler_solution.py +56 -56
  61. reflectorch/inference/scipy_fitter.py +272 -262
  62. reflectorch/inference/torch_fitter.py +87 -87
  63. reflectorch/ml/__init__.py +32 -32
  64. reflectorch/ml/basic_trainer.py +292 -292
  65. reflectorch/ml/callbacks.py +80 -80
  66. reflectorch/ml/dataloaders.py +26 -26
  67. reflectorch/ml/loggers.py +55 -55
  68. reflectorch/ml/schedulers.py +355 -355
  69. reflectorch/ml/trainers.py +200 -200
  70. reflectorch/ml/utils.py +2 -2
  71. reflectorch/models/__init__.py +15 -15
  72. reflectorch/models/activations.py +50 -50
  73. reflectorch/models/encoders/__init__.py +19 -19
  74. reflectorch/models/encoders/conv_encoder.py +218 -218
  75. reflectorch/models/encoders/conv_res_net.py +115 -115
  76. reflectorch/models/encoders/fno.py +133 -133
  77. reflectorch/models/encoders/integral_kernel_embedding.py +389 -389
  78. reflectorch/models/networks/__init__.py +14 -14
  79. reflectorch/models/networks/mlp_networks.py +434 -434
  80. reflectorch/models/networks/residual_net.py +156 -156
  81. reflectorch/paths.py +29 -27
  82. reflectorch/runs/__init__.py +31 -31
  83. reflectorch/runs/config.py +25 -25
  84. reflectorch/runs/slurm_utils.py +93 -93
  85. reflectorch/runs/train.py +78 -78
  86. reflectorch/runs/utils.py +404 -404
  87. reflectorch/test_config.py +4 -4
  88. reflectorch/train.py +4 -4
  89. reflectorch/train_on_cluster.py +4 -4
  90. reflectorch/utils.py +97 -97
  91. {reflectorch-1.4.0.dist-info → reflectorch-1.5.0.dist-info}/METADATA +129 -126
  92. reflectorch-1.5.0.dist-info/RECORD +96 -0
  93. {reflectorch-1.4.0.dist-info → reflectorch-1.5.0.dist-info}/licenses/LICENSE.txt +20 -20
  94. reflectorch-1.4.0.dist-info/RECORD +0 -88
  95. {reflectorch-1.4.0.dist-info → reflectorch-1.5.0.dist-info}/WHEEL +0 -0
  96. {reflectorch-1.4.0.dist-info → reflectorch-1.5.0.dist-info}/top_level.txt +0 -0
reflectorch/__init__.py CHANGED
@@ -1,17 +1,17 @@
1
- from reflectorch.data_generation import *
2
- from reflectorch.ml import *
3
- from reflectorch.models import *
4
- from reflectorch.utils import *
5
- from reflectorch.paths import *
6
- from reflectorch.runs import *
7
- from reflectorch.inference import *
8
-
9
- from reflectorch.data_generation import __all__ as all_data_generation
10
- from reflectorch.ml import __all__ as all_ml
11
- from reflectorch.models import __all__ as all_models
12
- from reflectorch.utils import __all__ as all_utils
13
- from reflectorch.paths import __all__ as all_paths
14
- from reflectorch.runs import __all__ as all_runs
15
- from reflectorch.inference import __all__ as all_inference
16
-
17
- __all__ = all_data_generation + all_ml + all_models + all_utils + all_paths + all_runs + all_inference
1
+ from reflectorch.data_generation import *
2
+ from reflectorch.ml import *
3
+ from reflectorch.models import *
4
+ from reflectorch.utils import *
5
+ from reflectorch.paths import *
6
+ from reflectorch.runs import *
7
+ from reflectorch.inference import *
8
+
9
+ from reflectorch.data_generation import __all__ as all_data_generation
10
+ from reflectorch.ml import __all__ as all_ml
11
+ from reflectorch.models import __all__ as all_models
12
+ from reflectorch.utils import __all__ as all_utils
13
+ from reflectorch.paths import __all__ as all_paths
14
+ from reflectorch.runs import __all__ as all_runs
15
+ from reflectorch.inference import __all__ as all_inference
16
+
17
+ __all__ = all_data_generation + all_ml + all_models + all_utils + all_paths + all_runs + all_inference
reflectorch/data_generation/__init__.py CHANGED
@@ -1,128 +1,128 @@
1
- from reflectorch.data_generation.dataset import BasicDataset, BATCH_DATA_TYPE
2
- from reflectorch.data_generation.priors import (
3
- Params,
4
- PriorSampler,
5
- BasicPriorSampler,
6
- SingleParamPrior,
7
- SimplePriorSampler,
8
- UniformParamPrior,
9
- GaussianParamPrior,
10
- TruncatedGaussianParamPrior,
11
- UniformSubPriorParams,
12
- UniformSubPriorSampler,
13
- NarrowSldUniformSubPriorSampler,
14
- ExpUniformSubPriorSampler,
15
- SimpleMultilayerSampler,
16
- SubpriorParametricSampler,
17
- BasicParams,
18
- ParametricModel,
19
- MULTILAYER_MODELS,
20
- SamplerStrategy,
21
- BasicSamplerStrategy,
22
- ConstrainedRoughnessSamplerStrategy,
23
- ConstrainedRoughnessAndImgSldSamplerStrategy,
24
- )
25
- from reflectorch.data_generation.process_data import ProcessData, ProcessPipeline
26
- from reflectorch.data_generation.q_generator import (
27
- QGenerator,
28
- ConstantAngle,
29
- ConstantQ,
30
- VariableQ,
31
- EquidistantQ,
32
- MaskedVariableQ,
33
- )
34
- from reflectorch.data_generation.noise import (
35
- QNoiseGenerator,
36
- IntensityNoiseGenerator,
37
- QNormalNoiseGenerator,
38
- QSystematicShiftGenerator,
39
- PoissonNoiseGenerator,
40
- MultiplicativeLogNormalNoiseGenerator,
41
- ShiftNoise,
42
- ScalingNoise,
43
- BackgroundNoise,
44
- BasicExpIntensityNoise,
45
- GaussianExpIntensityNoise,
46
- BasicQNoiseGenerator,
47
- )
48
- from reflectorch.data_generation.scale_curves import (
49
- CurvesScaler,
50
- LogAffineCurvesScaler,
51
- MeanNormalizationCurvesScaler,
52
- )
53
- from reflectorch.data_generation.utils import (
54
- get_reversed_params,
55
- get_density_profiles,
56
- uniform_sampler,
57
- logdist_sampler,
58
- triangular_sampler,
59
- get_param_labels,
60
- )
61
-
62
- from reflectorch.data_generation.smearing import Smearing
63
-
64
- from reflectorch.data_generation.reflectivity import reflectivity
65
-
66
- from reflectorch.data_generation.likelihoods import (
67
- LogLikelihood,
68
- PoissonLogLikelihood,
69
- )
70
-
71
- __all__ = [
72
- "Params",
73
- "PriorSampler",
74
- "BasicPriorSampler",
75
- "BasicDataset",
76
- "ProcessData",
77
- "ProcessPipeline",
78
- "QGenerator",
79
- "ConstantQ",
80
- "VariableQ",
81
- "EquidistantQ",
82
- "MaskedVariableQ",
83
- "QNoiseGenerator",
84
- "IntensityNoiseGenerator",
85
- "MultiplicativeLogNormalNoiseGenerator",
86
- "PoissonNoiseGenerator",
87
- "CurvesScaler",
88
- "ShiftNoise",
89
- "ScalingNoise",
90
- "BackgroundNoise",
91
- "QNormalNoiseGenerator",
92
- "QSystematicShiftGenerator",
93
- "LogAffineCurvesScaler",
94
- "MeanNormalizationCurvesScaler",
95
- "get_reversed_params",
96
- "get_density_profiles",
97
- "logdist_sampler",
98
- "uniform_sampler",
99
- "triangular_sampler",
100
- "get_param_labels",
101
- "reflectivity",
102
- "Smearing",
103
- "SingleParamPrior",
104
- "SimplePriorSampler",
105
- "UniformParamPrior",
106
- "GaussianParamPrior",
107
- "TruncatedGaussianParamPrior",
108
- "UniformSubPriorParams",
109
- "UniformSubPriorSampler",
110
- "NarrowSldUniformSubPriorSampler",
111
- "ExpUniformSubPriorSampler",
112
- "SimpleMultilayerSampler",
113
- "BATCH_DATA_TYPE",
114
- "LogLikelihood",
115
- "PoissonLogLikelihood",
116
- "BasicExpIntensityNoise",
117
- "GaussianExpIntensityNoise",
118
- "BasicQNoiseGenerator",
119
- "ConstantAngle",
120
- "SubpriorParametricSampler",
121
- "BasicParams",
122
- "ParametricModel",
123
- "MULTILAYER_MODELS",
124
- "SamplerStrategy",
125
- "BasicSamplerStrategy",
126
- "ConstrainedRoughnessSamplerStrategy",
127
- "ConstrainedRoughnessAndImgSldSamplerStrategy",
128
- ]
1
+ from reflectorch.data_generation.dataset import BasicDataset, BATCH_DATA_TYPE
2
+ from reflectorch.data_generation.priors import (
3
+ Params,
4
+ PriorSampler,
5
+ BasicPriorSampler,
6
+ SingleParamPrior,
7
+ SimplePriorSampler,
8
+ UniformParamPrior,
9
+ GaussianParamPrior,
10
+ TruncatedGaussianParamPrior,
11
+ UniformSubPriorParams,
12
+ UniformSubPriorSampler,
13
+ NarrowSldUniformSubPriorSampler,
14
+ ExpUniformSubPriorSampler,
15
+ SimpleMultilayerSampler,
16
+ SubpriorParametricSampler,
17
+ BasicParams,
18
+ ParametricModel,
19
+ MULTILAYER_MODELS,
20
+ SamplerStrategy,
21
+ BasicSamplerStrategy,
22
+ ConstrainedRoughnessSamplerStrategy,
23
+ ConstrainedRoughnessAndImgSldSamplerStrategy,
24
+ )
25
+ from reflectorch.data_generation.process_data import ProcessData, ProcessPipeline
26
+ from reflectorch.data_generation.q_generator import (
27
+ QGenerator,
28
+ ConstantAngle,
29
+ ConstantQ,
30
+ VariableQ,
31
+ EquidistantQ,
32
+ MaskedVariableQ,
33
+ )
34
+ from reflectorch.data_generation.noise import (
35
+ QNoiseGenerator,
36
+ IntensityNoiseGenerator,
37
+ QNormalNoiseGenerator,
38
+ QSystematicShiftGenerator,
39
+ PoissonNoiseGenerator,
40
+ MultiplicativeLogNormalNoiseGenerator,
41
+ ShiftNoise,
42
+ ScalingNoise,
43
+ BackgroundNoise,
44
+ BasicExpIntensityNoise,
45
+ GaussianExpIntensityNoise,
46
+ BasicQNoiseGenerator,
47
+ )
48
+ from reflectorch.data_generation.scale_curves import (
49
+ CurvesScaler,
50
+ LogAffineCurvesScaler,
51
+ MeanNormalizationCurvesScaler,
52
+ )
53
+ from reflectorch.data_generation.utils import (
54
+ get_reversed_params,
55
+ get_density_profiles,
56
+ uniform_sampler,
57
+ logdist_sampler,
58
+ triangular_sampler,
59
+ get_param_labels,
60
+ )
61
+
62
+ from reflectorch.data_generation.smearing import Smearing
63
+
64
+ from reflectorch.data_generation.reflectivity import reflectivity
65
+
66
+ from reflectorch.data_generation.likelihoods import (
67
+ LogLikelihood,
68
+ PoissonLogLikelihood,
69
+ )
70
+
71
+ __all__ = [
72
+ "Params",
73
+ "PriorSampler",
74
+ "BasicPriorSampler",
75
+ "BasicDataset",
76
+ "ProcessData",
77
+ "ProcessPipeline",
78
+ "QGenerator",
79
+ "ConstantQ",
80
+ "VariableQ",
81
+ "EquidistantQ",
82
+ "MaskedVariableQ",
83
+ "QNoiseGenerator",
84
+ "IntensityNoiseGenerator",
85
+ "MultiplicativeLogNormalNoiseGenerator",
86
+ "PoissonNoiseGenerator",
87
+ "CurvesScaler",
88
+ "ShiftNoise",
89
+ "ScalingNoise",
90
+ "BackgroundNoise",
91
+ "QNormalNoiseGenerator",
92
+ "QSystematicShiftGenerator",
93
+ "LogAffineCurvesScaler",
94
+ "MeanNormalizationCurvesScaler",
95
+ "get_reversed_params",
96
+ "get_density_profiles",
97
+ "logdist_sampler",
98
+ "uniform_sampler",
99
+ "triangular_sampler",
100
+ "get_param_labels",
101
+ "reflectivity",
102
+ "Smearing",
103
+ "SingleParamPrior",
104
+ "SimplePriorSampler",
105
+ "UniformParamPrior",
106
+ "GaussianParamPrior",
107
+ "TruncatedGaussianParamPrior",
108
+ "UniformSubPriorParams",
109
+ "UniformSubPriorSampler",
110
+ "NarrowSldUniformSubPriorSampler",
111
+ "ExpUniformSubPriorSampler",
112
+ "SimpleMultilayerSampler",
113
+ "BATCH_DATA_TYPE",
114
+ "LogLikelihood",
115
+ "PoissonLogLikelihood",
116
+ "BasicExpIntensityNoise",
117
+ "GaussianExpIntensityNoise",
118
+ "BasicQNoiseGenerator",
119
+ "ConstantAngle",
120
+ "SubpriorParametricSampler",
121
+ "BasicParams",
122
+ "ParametricModel",
123
+ "MULTILAYER_MODELS",
124
+ "SamplerStrategy",
125
+ "BasicSamplerStrategy",
126
+ "ConstrainedRoughnessSamplerStrategy",
127
+ "ConstrainedRoughnessAndImgSldSamplerStrategy",
128
+ ]