reflectorch 1.0.1__tar.gz → 1.2.0__tar.gz

{reflectorch-1.0.1 → reflectorch-1.2.0}/.gitignore

@@ -10,6 +10,7 @@ __pycache__/
 
 *.pt
 *.h5
+*.safetensors
 
 # Distribution / packaging
 .Python

reflectorch-1.2.0/MANIFEST.in

@@ -0,0 +1,15 @@
+include configs/*
+exclude saved_models/*.pt
+exclude notebooks/*
+exclude paper/*
+exclude documentation/*
+exclude docs/*
+prune docs/*
+exclude .github/*
+
+include exp_data/data_C60.pt
+include exp_data/data_PTCDI-C3.pt
+include exp_data/data_C60.txt
+include exp_data/data_PTCDI-C3.txt
+include exp_data/33a.dat
+include exp_data/DIP-nSi_34a.dat

{reflectorch-1.0.1 → reflectorch-1.2.0}/PKG-INFO

@@ -1,9 +1,9 @@
 Metadata-Version: 2.1
 Name: reflectorch
-Version: 1.0.1
+Version: 1.2.0
 Summary: A Pytorch-based package for the analysis of reflectometry data
 Author-email: Vladimir Starostin <vladimir.starostin@uni-tuebingen.de>, Valentin Munteanu <valentin.munteanu@uni-tuebingen.de>
-Maintainer-email: Valentin Munteanu <valentin.munteanu@uni-tuebingen.de>, Alexander Hinderhofer <alexander.hinderhofer@uni-tuebingen.de>
+Maintainer-email: Valentin Munteanu <valentin.munteanu@uni-tuebingen.de>, Vladimir Starostin <vladimir.starostin@uni-tuebingen.de>, Alexander Hinderhofer <alexander.hinderhofer@uni-tuebingen.de>
 Project-URL: Source, https://github.com/schreiber-lab/reflectorch/
 Project-URL: Issues, https://github.com/schreiber-lab/reflectorch/issues
 Project-URL: Documentation, https://schreiber-lab.github.io/reflectorch/
@@ -26,8 +26,8 @@ Requires-Dist: PyYAML
 Requires-Dist: click
 Requires-Dist: matplotlib
 Requires-Dist: ipywidgets
-Requires-Dist: torchinfo
 Requires-Dist: huggingface_hub
+Requires-Dist: safetensors
 Provides-Extra: tests
 Requires-Dist: pytest; extra == "tests"
 Requires-Dist: pytest-cov; extra == "tests"
@@ -47,12 +47,12 @@ Requires-Dist: twine; extra == "build"
 [![YAML](https://img.shields.io/badge/yaml-%23ffffff.svg?style=for-the-badge&logo=yaml&logoColor=151515)](https://yaml.org/)
 [![Hugging Face](https://img.shields.io/badge/Hugging%20Face-%23FFD700.svg?style=for-the-badge&logo=huggingface&logoColor=black)](https://huggingface.co/valentinsingularity/reflectivity)
 
-[![License: GPLv3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0)
 [![Python version](https://img.shields.io/badge/python-3.7%7C3.8%7C3.9%7C3.10%7C3.11%7C3.12-blue.svg)](https://www.python.org/)
 ![CI workflow status](https://github.com/schreiber-lab/reflectorch/actions/workflows/ci.yml/badge.svg)
 ![Repos size](https://img.shields.io/github/repo-size/schreiber-lab/reflectorch)
 [![CodeFactor](https://www.codefactor.io/repository/github/schreiber-lab/reflectorch/badge)](https://www.codefactor.io/repository/github/schreiber-lab/reflectorch)
-[![Jupyter Book Documentation](https://jupyterbook.org/badge.svg)](https://schreiber-lab.github.io/reflectorch/)
+[![Jupyter Book Documentation](https://jupyterbook.org/badge.svg)](https://jupyterbook.org/)
+[![Documentation Page](https://img.shields.io/badge/Documentation%20Page-%23FFDD33.svg?style=flat&logo=read-the-docs&logoColor=black)](https://schreiber-lab.github.io/reflectorch/)
 <!-- [![Code style: Ruff](https://img.shields.io/endpoint?url=https://raw.githubusercontent.com/astral-sh/ruff/main/assets/badge/v2.json)](https://github.com/astral-sh/ruff) -->
 
 
@@ -92,16 +92,21 @@ Users with Nvidia **GPU**s need to additionally install **Pytorch with CUDA supp
 
 ## Get started
 
-![](https://img.shields.io/badge/Documentation%20Page-%23FFDD33.svg?style=flat&logo=read-the-docs&logoColor=black) The full documentation of the package, containing tutorials and the API reference, was built with [Jupyter Book](https://jupyterbook.org/) and [Sphinx](https://www.sphinx-doc.org) and it is hosted at the address: [https://schreiber-lab.github.io/reflectorch/](https://schreiber-lab.github.io/reflectorch/).
+[![Documentation Page](https://img.shields.io/badge/Documentation%20Page-%23FFDD33.svg?style=flat&logo=read-the-docs&logoColor=black)](https://schreiber-lab.github.io/reflectorch/)
+ The full documentation of the package, containing tutorials and the API reference, was built with [Jupyter Book](https://jupyterbook.org/) and [Sphinx](https://www.sphinx-doc.org) and it is hosted at the address: [https://schreiber-lab.github.io/reflectorch/](https://schreiber-lab.github.io/reflectorch/).
 
-![](https://img.shields.io/badge/Interactive%20Notebook-%23F9AB00.svg?style=flat&logo=google-colab&logoColor=black) We provide an interactive Google Colab notebook for exploring the basic functionality of the package: [![Explore reflectorch in Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/drive/1rf_M8S_5kYvUoK0-9-AYal_fO3oFl7ck?usp=sharing)<br>
+[![Interactive Notebook](https://img.shields.io/badge/Interactive%20Notebook-%23F9AB00.svg?style=flat&logo=google-colab&logoColor=black)](https://colab.research.google.com/drive/1rf_M8S_5kYvUoK0-9-AYal_fO3oFl7ck?usp=sharing)
+We provide an interactive Google Colab notebook for exploring the basic functionality of the package: [![Explore reflectorch in Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/drive/1rf_M8S_5kYvUoK0-9-AYal_fO3oFl7ck?usp=sharing)<br>
 
-![](https://img.shields.io/badge/Hugging%20Face-%23FFD700.svg?style=flat&logo=huggingface&logoColor=black) Configuration files and the corresponding pretrained model weights are hosted on Huggingface: [https://huggingface.co/valentinsingularity/reflectivity](https://huggingface.co/valentinsingularity/reflectivity).
+[![Hugging Face](https://img.shields.io/badge/Hugging%20Face-%23FFD700.svg?style=flat&logo=huggingface&logoColor=black)](https://huggingface.co/valentinsingularity/reflectivity)
+Configuration files and the corresponding pretrained model weights are hosted on Huggingface: [https://huggingface.co/valentinsingularity/reflectivity](https://huggingface.co/valentinsingularity/reflectivity).
+
+[![Docker](https://img.shields.io/badge/Docker-2496ED.svg?style=flat&logo=docker&logoColor=white)](https://hub.docker.com/)
+Docker images for reflectorch *will* be hosted on Dockerhub.
 
-![](https://img.shields.io/badge/Docker-2496ED.svg?style=flat&logo=docker&logoColor=white) Docker images for reflectorch *will* be hosted on Dockerhub.
 
 ## Citation
-If you find our work useful in your research, please cite:
+If you find our work useful in your research, please cite as follows:
 ```
 @Article{Munteanu2024,
   author    = {Munteanu, Valentin and Starostin, Vladimir and Greco, Alessandro and Pithan, Linus and Gerlach, Alexander and Hinderhofer, Alexander and Kowarik, Stefan and Schreiber, Frank},

{reflectorch-1.0.1 → reflectorch-1.2.0}/README.md

@@ -7,12 +7,12 @@
 [![YAML](https://img.shields.io/badge/yaml-%23ffffff.svg?style=for-the-badge&logo=yaml&logoColor=151515)](https://yaml.org/)
 [![Hugging Face](https://img.shields.io/badge/Hugging%20Face-%23FFD700.svg?style=for-the-badge&logo=huggingface&logoColor=black)](https://huggingface.co/valentinsingularity/reflectivity)
 
-[![License: GPLv3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0)
 [![Python version](https://img.shields.io/badge/python-3.7%7C3.8%7C3.9%7C3.10%7C3.11%7C3.12-blue.svg)](https://www.python.org/)
 ![CI workflow status](https://github.com/schreiber-lab/reflectorch/actions/workflows/ci.yml/badge.svg)
 ![Repos size](https://img.shields.io/github/repo-size/schreiber-lab/reflectorch)
 [![CodeFactor](https://www.codefactor.io/repository/github/schreiber-lab/reflectorch/badge)](https://www.codefactor.io/repository/github/schreiber-lab/reflectorch)
-[![Jupyter Book Documentation](https://jupyterbook.org/badge.svg)](https://schreiber-lab.github.io/reflectorch/)
+[![Jupyter Book Documentation](https://jupyterbook.org/badge.svg)](https://jupyterbook.org/)
+[![Documentation Page](https://img.shields.io/badge/Documentation%20Page-%23FFDD33.svg?style=flat&logo=read-the-docs&logoColor=black)](https://schreiber-lab.github.io/reflectorch/)
 <!-- [![Code style: Ruff](https://img.shields.io/endpoint?url=https://raw.githubusercontent.com/astral-sh/ruff/main/assets/badge/v2.json)](https://github.com/astral-sh/ruff) -->
 
 
@@ -52,16 +52,21 @@ Users with Nvidia **GPU**s need to additionally install **Pytorch with CUDA supp
 
 ## Get started
 
-![](https://img.shields.io/badge/Documentation%20Page-%23FFDD33.svg?style=flat&logo=read-the-docs&logoColor=black) The full documentation of the package, containing tutorials and the API reference, was built with [Jupyter Book](https://jupyterbook.org/) and [Sphinx](https://www.sphinx-doc.org) and it is hosted at the address: [https://schreiber-lab.github.io/reflectorch/](https://schreiber-lab.github.io/reflectorch/).
+[![Documentation Page](https://img.shields.io/badge/Documentation%20Page-%23FFDD33.svg?style=flat&logo=read-the-docs&logoColor=black)](https://schreiber-lab.github.io/reflectorch/)
+ The full documentation of the package, containing tutorials and the API reference, was built with [Jupyter Book](https://jupyterbook.org/) and [Sphinx](https://www.sphinx-doc.org) and it is hosted at the address: [https://schreiber-lab.github.io/reflectorch/](https://schreiber-lab.github.io/reflectorch/).
 
-![](https://img.shields.io/badge/Interactive%20Notebook-%23F9AB00.svg?style=flat&logo=google-colab&logoColor=black) We provide an interactive Google Colab notebook for exploring the basic functionality of the package: [![Explore reflectorch in Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/drive/1rf_M8S_5kYvUoK0-9-AYal_fO3oFl7ck?usp=sharing)<br>
+[![Interactive Notebook](https://img.shields.io/badge/Interactive%20Notebook-%23F9AB00.svg?style=flat&logo=google-colab&logoColor=black)](https://colab.research.google.com/drive/1rf_M8S_5kYvUoK0-9-AYal_fO3oFl7ck?usp=sharing)
+We provide an interactive Google Colab notebook for exploring the basic functionality of the package: [![Explore reflectorch in Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/drive/1rf_M8S_5kYvUoK0-9-AYal_fO3oFl7ck?usp=sharing)<br>
 
-![](https://img.shields.io/badge/Hugging%20Face-%23FFD700.svg?style=flat&logo=huggingface&logoColor=black) Configuration files and the corresponding pretrained model weights are hosted on Huggingface: [https://huggingface.co/valentinsingularity/reflectivity](https://huggingface.co/valentinsingularity/reflectivity).
+[![Hugging Face](https://img.shields.io/badge/Hugging%20Face-%23FFD700.svg?style=flat&logo=huggingface&logoColor=black)](https://huggingface.co/valentinsingularity/reflectivity)
+Configuration files and the corresponding pretrained model weights are hosted on Huggingface: [https://huggingface.co/valentinsingularity/reflectivity](https://huggingface.co/valentinsingularity/reflectivity).
+
+[![Docker](https://img.shields.io/badge/Docker-2496ED.svg?style=flat&logo=docker&logoColor=white)](https://hub.docker.com/)
+Docker images for reflectorch *will* be hosted on Dockerhub.
 
-![](https://img.shields.io/badge/Docker-2496ED.svg?style=flat&logo=docker&logoColor=white) Docker images for reflectorch *will* be hosted on Dockerhub.
 
 ## Citation
-If you find our work useful in your research, please cite:
+If you find our work useful in your research, please cite as follows:
 ```
 @Article{Munteanu2024,
   author    = {Munteanu, Valentin and Starostin, Vladimir and Greco, Alessandro and Pithan, Linus and Gerlach, Alexander and Hinderhofer, Alexander and Kowarik, Stefan and Schreiber, Frank},

reflectorch-1.2.0/configs/c_test_safetensors.yaml

@@ -0,0 +1,103 @@
+general:
+  name: c_test_safetensors
+  root_dir: null
+  
+dset:
+  cls: ReflectivityDataLoader
+  prior_sampler:
+    cls: SubpriorParametricSampler
+    kwargs:
+      param_ranges:
+        thicknesses: [1., 500.]
+        roughnesses: [0., 60.]
+        slds: [0., 25.]
+      bound_width_ranges:
+        thicknesses: [1.0e-2, 500.]
+        roughnesses: [1.0e-2, 60.]
+        slds: [ 1.0e-2, 4.]
+      model_name: standard_model
+      max_num_layers: 2
+      constrained_roughness: true
+      max_thickness_share: 0.5
+      logdist: false
+      scale_params_by_ranges: false
+      scaled_range: [-1., 1.]
+      device: 'cuda'
+      
+  q_generator:
+    cls: ConstantQ
+    kwargs:
+      q: [0.02, 0.15, 128]
+      device: 'cuda'
+      
+  intensity_noise:
+    cls: BasicExpIntensityNoise
+    kwargs:
+      relative_errors: [0.0, 0.2]
+      abs_errors: 0.0
+      consistent_rel_err: true
+      logdist: false
+      apply_shift: true
+      shift_range: [-0.3, 0.3]
+      apply_scaling: true
+      scale_range: [-0.02, 0.02]
+      apply_background: false
+      background_range: [1.0e-10, 1.0e-8]
+
+  q_noise:
+    cls: BasicQNoiseGenerator
+    kwargs:
+      shift_std: 1.0e-3
+      noise_std: [0., 1.0e-3]
+      
+  curves_scaler:
+    cls: LogAffineCurvesScaler
+    kwargs:
+      weight: 0.2
+      bias: 1.0
+      eps: 1.0e-10
+
+model:
+  network:
+    cls: NetworkWithPriorsConvEmb
+    pretrained_name: null
+    device: 'cuda'
+    kwargs:
+      in_channels: 1
+      hidden_channels: [32, 64, 128, 256, 512]
+      dim_embedding: 128
+      dim_avpool: 1
+      embedding_net_activation: 'gelu'
+      use_batch_norm: true
+      dim_out: 8
+      layer_width: 512
+      num_blocks: 6
+      repeats_per_block: 2
+      mlp_activation: 'gelu'
+      dropout_rate: 0.0 
+      pretrained_embedding_net: null
+       
+training:
+  num_iterations: 10000
+  batch_size: 4096
+  lr: 1.0e-4
+  grad_accumulation_steps: 1
+  clip_grad_norm_max: null
+  train_with_q_input: False
+  update_tqdm_freq: 1
+  optimizer: AdamW
+  trainer_kwargs:
+    optim_kwargs:
+      betas: [0.9, 0.999]
+      weight_decay: 0.0005
+  callbacks:
+    save_best_model:
+      enable: true
+      freq: 500
+    lr_scheduler:
+      cls: StepLR
+      kwargs:
+        step_size: 500
+        gamma: 0.5
+  logger:
+    use_neptune: false

reflectorch-1.2.0/exp_data/data_C60.txt

@@ -0,0 +1,92 @@
+# q	R(q)
+1.42368058e-02	9.99013913e-01
+1.56604844e-02	9.97201582e-01
+1.70841625e-02	1.00000000e+00
+1.85078401e-02	9.98838316e-01
+1.99315182e-02	9.96319110e-01
+2.13551957e-02	9.92375339e-01
+2.27788704e-02	9.89743023e-01
+2.42025465e-02	9.86378958e-01
+2.56262219e-02	9.75717850e-01
+2.70498944e-02	9.60515827e-01
+2.84735682e-02	9.30343836e-01
+2.98972390e-02	8.36874918e-01
+3.13209110e-02	5.06307942e-01
+3.27445821e-02	9.57114507e-02
+3.41682500e-02	1.72501680e-02
+3.55919191e-02	2.19172468e-02
+3.70155849e-02	3.02606295e-02
+3.84392538e-02	3.46351062e-02
+3.98629173e-02	3.63926902e-02
+4.12865797e-02	3.56133498e-02
+4.27102449e-02	3.31841454e-02
+4.41339047e-02	3.00055263e-02
+4.55575631e-02	2.62583437e-02
+4.69812244e-02	2.23786456e-02
+4.84048799e-02	1.86479132e-02
+4.98285341e-02	1.48919751e-02
+5.12521909e-02	1.15645186e-02
+5.26046603e-02	8.81495735e-03
+5.41706729e-02	6.16748023e-03
+5.54519576e-02	4.41031274e-03
+5.69467895e-02	2.85552699e-03
+5.83704338e-02	1.82277111e-03
+5.97940764e-02	1.09309472e-03
+6.12177214e-02	6.45209121e-04
+6.26413603e-02	4.51815994e-04
+6.40649973e-02	4.05545553e-04
+6.54886365e-02	4.71986389e-04
+6.69122696e-02	6.33676016e-04
+6.83359006e-02	8.24721598e-04
+6.97595337e-02	1.02122815e-03
+7.11831605e-02	1.19991309e-03
+7.26067851e-02	1.37747504e-03
+7.40304075e-02	1.45628994e-03
+7.54540277e-02	1.56260066e-03
+7.68776540e-02	1.56385635e-03
+7.83012696e-02	1.55499805e-03
+7.97248827e-02	1.48071534e-03
+8.11484934e-02	1.37202330e-03
+8.25721016e-02	1.25561119e-03
+8.39957073e-02	1.12940707e-03
+8.54193190e-02	9.70388349e-04
+8.68429195e-02	8.14503931e-04
+8.82665174e-02	6.66042995e-04
+8.96901126e-02	5.22589578e-04
+9.11137051e-02	3.97105516e-04
+9.24661205e-02	2.92556151e-04
+9.40320644e-02	2.05435132e-04
+9.53844743e-02	1.37877745e-04
+9.68080554e-02	8.99905383e-05
+9.82316336e-02	6.01704429e-05
+9.96552087e-02	4.57869602e-05
+1.01078781e-01	4.57521348e-05
+1.02502358e-01	5.87806384e-05
+1.03925924e-01	7.33169291e-05
+1.05349487e-01	9.99188747e-05
+1.06773047e-01	1.24738986e-04
+1.08196603e-01	1.53505862e-04
+1.09620156e-01	1.75739919e-04
+1.11043706e-01	1.95222433e-04
+1.12467261e-01	2.04343119e-04
+1.13890803e-01	2.12539731e-04
+1.15314343e-01	2.14384693e-04
+1.16737879e-01	2.07431638e-04
+1.18161411e-01	2.05379924e-04
+1.19584940e-01	1.91959662e-04
+1.21008473e-01	1.68736759e-04
+1.22431995e-01	1.48284283e-04
+1.23855512e-01	1.36160797e-04
+1.25279026e-01	1.13203424e-04
+1.26702536e-01	9.44118517e-05
+1.28126043e-01	7.29784509e-05
+1.29549554e-01	5.48038635e-05
+1.30973052e-01	4.14296076e-05
+1.32396546e-01	2.71453572e-05
+1.33820037e-01	1.79044017e-05
+1.35243523e-01	1.12678662e-05
+1.36667005e-01	6.18756266e-06
+1.38090492e-01	6.12377904e-06
+1.39513965e-01	5.68246646e-06
+1.40937435e-01	8.06260534e-06
+1.42432068e-01	9.64781290e-06

reflectorch-1.2.0/exp_data/data_PTCDI-C3.txt

@@ -0,0 +1,142 @@
+# q	R(q)
+1.42368058e-02	9.82044589e-01
+1.56604844e-02	9.83464915e-01
+1.70841625e-02	9.96593967e-01
+1.85078401e-02	9.91586687e-01
+1.99315182e-02	1.00000000e+00
+2.13551957e-02	9.92022512e-01
+2.27788704e-02	9.98568937e-01
+2.42025465e-02	9.87853497e-01
+2.56262219e-02	9.89907742e-01
+2.70498944e-02	9.70983733e-01
+2.84735682e-02	9.46983437e-01
+2.98972390e-02	8.80801224e-01
+3.13209110e-02	7.19476528e-01
+3.27445821e-02	3.67459239e-01
+3.41682500e-02	1.15510963e-01
+3.55919191e-02	8.06758266e-02
+3.70155849e-02	7.01391188e-02
+3.84392538e-02	6.14631441e-02
+3.98629173e-02	5.12756187e-02
+4.12865797e-02	4.27515249e-02
+4.27102449e-02	3.34815932e-02
+4.41339047e-02	2.54358846e-02
+4.55575631e-02	1.83058769e-02
+4.69812244e-02	1.27533556e-02
+4.84048799e-02	8.09708921e-03
+4.98285341e-02	5.06697636e-03
+5.11810049e-02	2.72937432e-03
+5.26758419e-02	1.41903158e-03
+5.40994914e-02	6.12297600e-04
+5.55231391e-02	3.28475560e-04
+5.69467895e-02	3.61580064e-04
+5.83704338e-02	5.49662522e-04
+5.97940764e-02	7.89839220e-04
+6.12177214e-02	1.06217044e-03
+6.26413603e-02	1.31711525e-03
+6.40649973e-02	1.45729095e-03
+6.54886365e-02	1.51852702e-03
+6.69122696e-02	1.56528192e-03
+6.83359006e-02	1.46318592e-03
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+7.11119801e-02	1.17709374e-03
+7.26067851e-02	1.06406540e-03
+7.40304075e-02	8.80648522e-04
+7.54540277e-02	7.17192736e-04
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+8.25721016e-02	1.85126238e-04
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+8.68429195e-02	1.33658480e-04
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+9.68080554e-02	1.75578481e-04
+9.82316336e-02	1.75937243e-04
+9.96552087e-02	1.63121564e-04
+1.01078781e-01	1.62799229e-04
+1.02502358e-01	1.58590629e-04
+1.03925924e-01	1.23488110e-04
+1.05349487e-01	1.19383055e-04
+1.06773047e-01	1.02566636e-04
+1.08196603e-01	9.46274959e-05
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+1.67982508e-01	9.84692108e-06
+1.69405900e-01	1.17843608e-05
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+1.72252636e-01	9.27168515e-06
+1.73675996e-01	7.55361002e-06
+1.75099350e-01	1.02610674e-05
+1.76522699e-01	1.03398905e-05
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+2.03565280e-01	3.64255540e-06
+2.04988531e-01	4.03464158e-06
+2.06411758e-01	4.42284629e-06
+2.07834979e-01	3.84216415e-06
+2.09258193e-01	3.27088515e-06
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+2.13456644e-01	3.13870114e-06

{reflectorch-1.0.1 → reflectorch-1.2.0}/pyproject.toml

@@ -4,13 +4,14 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "reflectorch"
-version = "1.0.1"
+version = "1.2.0"
 authors = [
     {name = "Vladimir Starostin", email="vladimir.starostin@uni-tuebingen.de"},
     {name = "Valentin Munteanu", email="valentin.munteanu@uni-tuebingen.de"}
 ]
 maintainers = [
     {name = "Valentin Munteanu", email="valentin.munteanu@uni-tuebingen.de"},
+    {name = "Vladimir Starostin", email="vladimir.starostin@uni-tuebingen.de"},
     {name = "Alexander Hinderhofer", email="alexander.hinderhofer@uni-tuebingen.de"}
 ]
 description = "A Pytorch-based package for the analysis of reflectometry data"
@@ -36,8 +37,8 @@ dependencies = [
     "click",
     "matplotlib",
     "ipywidgets",
-    "torchinfo",
     "huggingface_hub",
+    "safetensors",
 ]
 
 [project.optional-dependencies]

{reflectorch-1.0.1 → reflectorch-1.2.0}/reflectorch/__init__.py

@@ -1,9 +1,3 @@
-# -*- coding: utf-8 -*-
-#
-#
-# This source code is licensed under the GPL license found in the
-# LICENSE file in the root directory of this source tree.
-
 from reflectorch.data_generation import *
 from reflectorch.ml import *
 from reflectorch.models import *

{reflectorch-1.0.1 → reflectorch-1.2.0}/reflectorch/data_generation/__init__.py

@@ -1,9 +1,3 @@
-# -*- coding: utf-8 -*-
-#
-#
-# This source code is licensed under the GPL license found in the
-# LICENSE file in the root directory of this source tree.
-
 from reflectorch.data_generation.dataset import BasicDataset, BATCH_DATA_TYPE
 from reflectorch.data_generation.priors import (
     Params,

{reflectorch-1.0.1 → reflectorch-1.2.0}/reflectorch/data_generation/dataset.py

@@ -1,9 +1,3 @@
-# -*- coding: utf-8 -*-
-#
-#
-# This source code is licensed under the GPL license found in the
-# LICENSE file in the root directory of this source tree.
-
 from typing import Dict, Union
 import warnings
 

{reflectorch-1.0.1 → reflectorch-1.2.0}/reflectorch/data_generation/likelihoods.py

@@ -1,9 +1,3 @@
-# -*- coding: utf-8 -*-
-#
-#
-# This source code is licensed under the GPL license found in the
-# LICENSE file in the root directory of this source tree.
-
 from typing import Union, Tuple
 
 import torch

{reflectorch-1.0.1 → reflectorch-1.2.0}/reflectorch/data_generation/noise.py

@@ -1,9 +1,3 @@
-# -*- coding: utf-8 -*-
-#
-#
-# This source code is licensed under the GPL license found in the
-# LICENSE file in the root directory of this source tree.
-
 from typing import Union, Tuple
 from math import log10
 

{reflectorch-1.0.1 → reflectorch-1.2.0}/reflectorch/data_generation/priors/__init__.py

@@ -1,9 +1,3 @@
-# -*- coding: utf-8 -*-
-#
-#
-# This source code is licensed under the GPL license found in the
-# LICENSE file in the root directory of this source tree.
-
 from reflectorch.data_generation.priors.params import Params
 from reflectorch.data_generation.priors.base import PriorSampler
 from reflectorch.data_generation.priors.no_constraints import BasicPriorSampler

{reflectorch-1.0.1 → reflectorch-1.2.0}/reflectorch/data_generation/priors/base.py

@@ -1,9 +1,3 @@
-# -*- coding: utf-8 -*-
-#
-#
-# This source code is licensed under the GPL license found in the
-# LICENSE file in the root directory of this source tree.
-
 from torch import Tensor
 
 from reflectorch.data_generation.priors.params import Params

{reflectorch-1.0.1 → reflectorch-1.2.0}/reflectorch/data_generation/priors/exp_subprior_sampler.py

@@ -1,9 +1,3 @@
-# -*- coding: utf-8 -*-
-#
-#
-# This source code is licensed under the GPL license found in the
-# LICENSE file in the root directory of this source tree.
-
 from typing import Tuple, Union, List
 
 import torch

{reflectorch-1.0.1 → reflectorch-1.2.0}/reflectorch/data_generation/priors/independent_priors.py

@@ -1,9 +1,3 @@
-# -*- coding: utf-8 -*-
-#
-#
-# This source code is licensed under the GPL license found in the
-# LICENSE file in the root directory of this source tree.
-
 from typing import Union, Tuple
 from math import log
 

{reflectorch-1.0.1 → reflectorch-1.2.0}/reflectorch/data_generation/priors/multilayer_structures.py

@@ -1,9 +1,3 @@
-# -*- coding: utf-8 -*-
-#
-#
-# This source code is licensed under the GPL license found in the
-# LICENSE file in the root directory of this source tree.
-
 from typing import Tuple, Dict
 
 import numpy as np

{reflectorch-1.0.1 → reflectorch-1.2.0}/reflectorch/data_generation/priors/no_constraints.py

@@ -1,9 +1,3 @@
-# -*- coding: utf-8 -*-
-#
-#
-# This source code is licensed under the GPL license found in the
-# LICENSE file in the root directory of this source tree.
-
 import logging
 from functools import lru_cache
 from typing import Tuple

{reflectorch-1.0.1 → reflectorch-1.2.0}/reflectorch/data_generation/priors/parametric_subpriors.py

@@ -1,9 +1,3 @@
-# -*- coding: utf-8 -*-
-#
-#
-# This source code is licensed under the GPL license found in the
-# LICENSE file in the root directory of this source tree.
-
 from typing import Tuple, Dict, Type, List
 
 import torch

{reflectorch-1.0.1 → reflectorch-1.2.0}/reflectorch/data_generation/priors/params.py

@@ -1,9 +1,3 @@
-# -*- coding: utf-8 -*-
-#
-#
-# This source code is licensed under the GPL license found in the
-# LICENSE file in the root directory of this source tree.
-
 from typing import List, Tuple
 
 import torch

{reflectorch-1.0.1 → reflectorch-1.2.0}/reflectorch/data_generation/priors/subprior_sampler.py

@@ -1,9 +1,3 @@
-# -*- coding: utf-8 -*-
-#
-#
-# This source code is licensed under the GPL license found in the
-# LICENSE file in the root directory of this source tree.
-
 from functools import lru_cache
 from typing import Tuple
 

{reflectorch-1.0.1 → reflectorch-1.2.0}/reflectorch/data_generation/priors/utils.py

@@ -1,9 +1,3 @@
-# -*- coding: utf-8 -*-
-#
-#
-# This source code is licensed under the GPL license found in the
-# LICENSE file in the root directory of this source tree.
-
 from typing import Tuple
 
 import torch