pyflowbatt 0.2.0__tar.gz

pyflowbatt-0.2.0/LICENSE

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+MIT License
+
+Copyright (c) 2026 Empa - Materials for Energy Conversion
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

pyflowbatt-0.2.0/PKG-INFO

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+Metadata-Version: 2.4
+Name: pyflowbatt
+Version: 0.2.0
+Summary: Tools for analysing data from the flow battery lab at Empa
+Requires-Python: >=3.10
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: batterydf>=0.1.0,<0.2.0
+Requires-Dist: battinfoconverter-backend>=3.2.0
+Requires-Dist: impedance>=1.7.1
+Requires-Dist: matplotlib>=3.10.6
+Requires-Dist: pandas>=2.3.2
+Requires-Dist: pyarrow>=21.0.0
+Requires-Dist: xlsxwriter>=3.2.9
+Requires-Dist: rocrate>=0.9
+Requires-Dist: yadg>=6.2.2,<7.0.0
+Requires-Dist: tomli>=2.0.0; python_version < '3.11'
+
+# 🌊 PyFlowBatt
+
+This Python package contains functions and a CLI for analysing data from the flow battery lab at Empa.
+
+
+## Installation
+
+Use Python >3.10, and install with pip:
+```
+pip install git+https://github.com/empaeconversion/pyflowbatt.git
+```
+
+## Usage
+
+Use in a terminal (e.g. Command Prompt or PowerShell).
+
+To analyse data and get a full summary and ro-crate, use `pyflowbatt --folder="path/to/your/folder"`.
+
+To zip everything at the end (e.g. to upload to Zenodo), use `pyflowbatt --folder="path/to/your/folder" --zip`.
+
+You can also navigate to a folder e.g.
+```
+cd path/to/your/folder
+pyflowbatt
+```
+PyFlowBatt will automatically scan for files like GCPL, EIS, LSV, CV, as well as BattInfo Converter .xlsx files, process the data, convert to battery data format, produce summary graphs and excel reports, create a BattInfo JSON-LD metadata file, and a top level ro-crate metadata file.
+
+A full analysis can take a while. You can do a 'dry run' to check what files *would* be analysed:
+```
+pyflowbatt --dry
+```
+
+```
+pyflowbatt --dry --folder="path/to/your/folder" --zip
+```
+This is useful for checking everything is in order before running a long analysis.
+
+You can override some settings by adding a `pyflowbatt.toml` file to a sample folder, parent folder, or your home folder. Use `pyflowbatt init` to create a template file and see what can be modified.
+
+## Using in Python
+
+You can also use the functions in Python, e.g.
+
+```python
+# Use individual functions
+from pyflowbatt import gcpl, lsv, cv
+from pyflowbatt.read import read_to_bdf
+
+df = read_to_bdf("path/to/my/gcpl-file")
+df, cycle_df = gcpl.analyse(df)
+
+cv_df = read_to_bdf("path/to/my/cv-file")
+cv_df, cv_cycle_df, capacitance_mF = cv.analyse(cv_df)
+
+lsv_df = read_to_bdf("path/to/my/lsv-file")
+lsv_result_dict = lsv.analyse(lsv_df)
+
+# Or run the full analysis on folders
+from pyflowbatt.analysis import analyse_sample, analyse_all_samples
+analyse_sample("path/to/sample/folder")
+analyse_all_samples("path/to/parent/folder/of/many/samples")
+```
+
+## For contributors
+
+If you find bugs, or want new features, open an *issue* on the GitHub page.
+
+If you want to directly contribute to the project, it is easiest to use the tool 'uv':
+```
+git clone https://github.com/empaeconversion/pyflowbatt.git
+
+cd pyflowbatt
+
+uv sync
+```
+Then open this folder in an editor like VSCode.
+
+You should always create a new branch before making edits, `main` is only for tested, working code that everyone can use.
+
+E.g. make and switch to a new branch with
+```
+git checkout -b new-feature
+```
+
+You have now branched off the `main` PyFlowBatt into your own branch called e.g. `new-feature`. Now you can do whatever you like and it won't affect the `main` branch.
+
+When you have made and committed some changes that add a feature or fix a problem, and you want to put them into `main`, open a *pull request* on GitHub.
+

pyflowbatt-0.2.0/README.md

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+# 🌊 PyFlowBatt
+
+This Python package contains functions and a CLI for analysing data from the flow battery lab at Empa.
+
+
+## Installation
+
+Use Python >3.10, and install with pip:
+```
+pip install git+https://github.com/empaeconversion/pyflowbatt.git
+```
+
+## Usage
+
+Use in a terminal (e.g. Command Prompt or PowerShell).
+
+To analyse data and get a full summary and ro-crate, use `pyflowbatt --folder="path/to/your/folder"`.
+
+To zip everything at the end (e.g. to upload to Zenodo), use `pyflowbatt --folder="path/to/your/folder" --zip`.
+
+You can also navigate to a folder e.g.
+```
+cd path/to/your/folder
+pyflowbatt
+```
+PyFlowBatt will automatically scan for files like GCPL, EIS, LSV, CV, as well as BattInfo Converter .xlsx files, process the data, convert to battery data format, produce summary graphs and excel reports, create a BattInfo JSON-LD metadata file, and a top level ro-crate metadata file.
+
+A full analysis can take a while. You can do a 'dry run' to check what files *would* be analysed:
+```
+pyflowbatt --dry
+```
+
+```
+pyflowbatt --dry --folder="path/to/your/folder" --zip
+```
+This is useful for checking everything is in order before running a long analysis.
+
+You can override some settings by adding a `pyflowbatt.toml` file to a sample folder, parent folder, or your home folder. Use `pyflowbatt init` to create a template file and see what can be modified.
+
+## Using in Python
+
+You can also use the functions in Python, e.g.
+
+```python
+# Use individual functions
+from pyflowbatt import gcpl, lsv, cv
+from pyflowbatt.read import read_to_bdf
+
+df = read_to_bdf("path/to/my/gcpl-file")
+df, cycle_df = gcpl.analyse(df)
+
+cv_df = read_to_bdf("path/to/my/cv-file")
+cv_df, cv_cycle_df, capacitance_mF = cv.analyse(cv_df)
+
+lsv_df = read_to_bdf("path/to/my/lsv-file")
+lsv_result_dict = lsv.analyse(lsv_df)
+
+# Or run the full analysis on folders
+from pyflowbatt.analysis import analyse_sample, analyse_all_samples
+analyse_sample("path/to/sample/folder")
+analyse_all_samples("path/to/parent/folder/of/many/samples")
+```
+
+## For contributors
+
+If you find bugs, or want new features, open an *issue* on the GitHub page.
+
+If you want to directly contribute to the project, it is easiest to use the tool 'uv':
+```
+git clone https://github.com/empaeconversion/pyflowbatt.git
+
+cd pyflowbatt
+
+uv sync
+```
+Then open this folder in an editor like VSCode.
+
+You should always create a new branch before making edits, `main` is only for tested, working code that everyone can use.
+
+E.g. make and switch to a new branch with
+```
+git checkout -b new-feature
+```
+
+You have now branched off the `main` PyFlowBatt into your own branch called e.g. `new-feature`. Now you can do whatever you like and it won't affect the `main` branch.
+
+When you have made and committed some changes that add a feature or fix a problem, and you want to put them into `main`, open a *pull request* on GitHub.

pyflowbatt-0.2.0/pyflowbatt/__init__.py

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+"""PyFlowBatt."""