PPMS_Toolkit 0.2.1__tar.gz

ppms_toolkit-0.2.1/.binder/environment.yml

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+name: ppms_env
+channels:
+  - defaults
+dependencies:
+  - python=3.10
+  - numpy
+  - scipy
+  - pandas
+  - matplotlib

ppms_toolkit-0.2.1/.binder/postBuild

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+#!/bin/bash
+pip install -e .

ppms_toolkit-0.2.1/.gitignore

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+Icon*
+*.pkl
+code_test.ipynb
+reference_code/
+
+# 忽略所有 __pycache__ 目录
+**/__pycache__/
+
+# 忽略所有 .pyc 和 .pyo 编译文件
+**/*.pyc
+**/*.pyo
+
+*.egg-info/
+
+### macOS ###
+# General
+.DS_Store
+.AppleDouble
+.LSOverride

ppms_toolkit-0.2.1/.vscode/settings.json

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+{
+    "python-envs.defaultEnvManager": "ms-python.python:conda",
+    "python-envs.defaultPackageManager": "ms-python.python:conda",
+    "python-envs.pythonProjects": []
+}

ppms_toolkit-0.2.1/LICENSE

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+MIT License
+
+Copyright (c) 2025 Yunxiao Liu
+
+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.

ppms_toolkit-0.2.1/PKG-INFO

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+Metadata-Version: 2.4
+Name: PPMS_Toolkit
+Version: 0.2.1
+Summary: Toolkit for PPMS data processing
+Author-email: Yunxiao LIU <yunxiao.liu@tum.de>
+License: MIT License
+        
+        Copyright (c) 2025 Yunxiao Liu
+        
+        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.
+License-File: LICENSE
+Classifier: Operating System :: OS Independent
+Classifier: Programming Language :: Python :: 3
+Requires-Python: >=3.9
+Requires-Dist: matplotlib>=3.4.0
+Requires-Dist: numpy>=1.21.0
+Requires-Dist: pandas>=1.3.0
+Requires-Dist: scipy>=1.7.0
+Provides-Extra: gui
+Requires-Dist: pyarrow>=10.0.0; extra == 'gui'
+Requires-Dist: pyside6; extra == 'gui'
+Description-Content-Type: text/markdown
+
+# PPMS Toolkit
+
+> ⚠️ **Development Notice**
+>
+> This project is currently under active development and primarily developed and tested on **macOS**.
+> It is a **pure Python** application built with **Qt (PySide6)**, so it should be *cross-platform* in principle.
+> However, minor GUI display issues may occur on **Windows** or **Linux** systems.
+
+<div align="center">
+
+[![Python](https://img.shields.io/badge/Python-3.9+-blue.svg)](https://www.python.org/downloads/)
+[![License: MIT](https://img.shields.io/badge/License-MIT-yellow.svg)](https://opensource.org/licenses/MIT)
+[![PySide6](https://img.shields.io/badge/GUI-PySide6-green.svg)](https://doc.qt.io/qtforpython/)
+
+*A  Python toolkit for PPMS (Physical Property Measurement System) data analysis*
+
+[Features](#-features) • [Installation](#-installation) • [Quick Start](#-quick-start) • [Documentation](#-documentation)
+
+</div>
+
+---
+
+## 📖 Overview
+
+![Easy plot with Measurement List](screenshots/plot_window.png)
+
+**PPMS Toolkit** is a modern, user-friendly application designed for researchers working with Quantum Design's Physical Property Measurement System (PPMS). It provides both a powerful **GUI application** and a flexible **Python library** for:
+
+- 📂 **Data Management**: Import, organize, and manage PPMS `.dat` files with SQLite database
+- 📊 **Interactive Plotting**: Visualize VSM ~~and Heat Capacity measurements~~ with Matplotlib
+- ~~🔬 **Advanced Analysis**: Curie temperature fitting, background subtraction, susceptibility analysis~~
+- 💾 **Efficient Storage**: Parquet-based file format for fast data loading and minimal disk usage
+- 🎨 **Cross-Platform**: Built with PySide6 (Qt6) for cross-platform compatibility
+
+---
+
+## ✨ Features
+
+### 🖥️ GUI Application
+
+- **Sample Management**
+  - Create and edit sample metadata (name, mass, orientation, chemical formula)
+  - Track multiple measurements per sample
+  - Delete samples and associated data files
+
+- **Measurement Management**
+  - Batch import of `.dat` files from PPMS
+  - Support for VSM (Vibrating Sample Magnetometer) measurements:
+    - **MH mode**: Magnetization vs. Field
+    - **MT mode**: Magnetization vs. Temperature
+  - ~~Support for Heat Capacity measurements~~
+  - Automatic deduplication based on file content hash
+
+- **Interactive Plotting**
+  - Plot multiple measurements with customizable legends
+  - Click-to-hide curves for easy comparison
+  - Switch between susceptibility (χ) and moment views
+  - Zoom, pan, and export plots
+
+- **Data Filtering**
+  - Multi-column filtering in measurement tables
+  - Filter by sample, mode, field, temperature, or condition
+
+---
+
+## 🚀 Installation
+
+### Option 1: Conda Environment (Recommended)
+
+```bash
+# Clone the repository
+git clone https://github.com/AlbertRyu/PPMS_ToolKit.git
+cd PPMS_ToolKit
+
+# Create and activate conda environment
+conda env create -f environment.yml
+conda activate ppms_toolkit
+
+# Install the package in development mode
+pip install -e ".[gui]"
+
+# Launch the GUI
+ppms-toolkit
+```
+
+### Option 2: pip + venv
+
+```bash
+# Clone the repository
+git clone https://github.com/AlbertRyu/PPMS_ToolKit.git
+cd PPMS_ToolKit
+
+# Create virtual environment
+python -m venv venv
+source venv/bin/activate  # On Windows: venv\Scripts\activate
+
+# Install with GUI support
+pip install -e ".[gui]"
+
+# Launch the GUI
+ppms-toolkit
+```
+---
+
+## 🎯 Quick Start
+
+### GUI Workflow
+
+1. **Launch Application**
+   ```bash
+   ppms-toolkit
+   ```
+
+2. **Select/Create Project**
+   - Choose an existing project folder or create a new one
+   - All data will be stored in this folder
+
+3. **Add Samples**
+   - Navigate to "Samples" tab
+   - Click "Add Sample" and enter metadata (name, mass, orientation)
+
+4. **Import Measurements**
+   - Go to "Plots" tab
+   - Click "Add Measurement"
+   - Select multiple `.dat` files (batch import supported)
+   - Choose the sample and measurement mode (MH/MT)
+
+   #### 📁 File Naming for MT Mode
+   
+   The toolkit automatically detects measurement conditions from filenames:
+   
+   | Filename Contains | Detected Condition |
+   |-------------------|-------------------|
+   | `ZFC` (case-insensitive) | Zero Field Cooling |
+   | `FC` (case-insensitive) | Field Cooling |
+   | Neither | Unknown Condition |
+   
+   **Examples:**
+   ```bash
+   ✅ sample_ZFC_100Oe.dat  → Condition: ZFC
+   ✅ data_FC.dat           → Condition: FC
+   ⚠️ measurement.dat       → Condition: Unknown
+
+5. **Visualize Data**
+   - Select measurements from the table
+   - Click "Plot" to visualize
+   - Use legend to toggle curves
+   - Toggle χ/Moment view with checkbox
+
+---
+
+## 📊 Supported Measurement Types
+
+### VSM (Vibrating Sample Magnetometer)
+
+| Mode | Description | Analysis Tools |
+|------|-------------|----------------|
+| **MH** | Magnetization vs. Field | ~~`fit_MH()` - Coercivity extraction～～~~ |
+| **MT** | Magnetization vs. Temperature | ~~`fit_MT()` - Curie temperature fitting~~|
+
+---
+
+## 🗂️ Project Structure
+
+```
+PPMS_ToolKit/
+├── src/
+│   ├── ppms_toolkit/              # Core library
+│   │   ├── sample.py              # Sample class
+│   │   └── measurement/
+│   │       ├── base.py            # Base Measurement class
+│   │       ├── vsm.py             # VSM analysis
+│   │       └── heat_capacity.py   # Heat Capacity analysis
+│   │
+│   ├── ppms_toolkit_gui/          # GUI application
+│   │   ├── app.py                 # Entry point
+│   │   ├── main_window.py         # Main window
+│   │   ├── controller/            # MVC controllers
+│   │   ├── widgets/               # Qt widgets
+│   │   └── dialogs/               # Dialog windows
+│   │
+│   └── infrastructure/
+│       └── db/
+│           └── db.py              # SQLite database wrapper
+│
+├── examples/
+│   └── code_example.ipynb         # Jupyter notebook examples
+│
+├── pyproject.toml                 # Project metadata & dependencies
+├── environment.yml                # Conda environment specification
+└── README.md                      # This file
+```
+
+---
+
+## 🔧 Dependencies
+
+### Core Dependencies
+- **numpy** ≥ 1.21 - Numerical computing
+- **pandas** ≥ 1.3 - Data manipulation
+- **scipy** ≥ 1.7 - Scientific computing
+- **matplotlib** ≥ 3.4 - Plotting
+
+### GUI Dependencies (Optional)
+- **PySide6** ≥ 6.4 - Qt6 GUI framework
+- **pyarrow** ≥ 10.0 - Parquet file I/O
+
+### Development Dependencies
+- **ipykernel** - Jupyter notebook support
+- **IPython** - Enhanced interactive shell
+
+---
+
+## 📚 Documentation
+
+### Database Structure
+
+The toolkit uses SQLite for data management with two main tables:
+
+**`samples`**
+- `id`, `name`, `mass`, `chemical`, `orientation`, `created_at`, `notes`
+
+**`measurements`**
+- `id`, `sample_id` (FK), `measurement_type`, `mode`
+- `const_field`, `const_temperature`
+- `original_filepath`, `data_filepath`, `processed_data_filepath`
+- `content_hash` (for deduplication)
+- `extra_parameters` (JSON), `comment`, `created_at`
+---
+
+## 📄 License
+
+This project is licensed under the **MIT License**.
+
+You are free to use, modify, and distribute this software, provided that:
+- You include the original copyright notice and license text in any copies
+- You do not hold the author liable for any damages
+
+See [LICENSE](LICENSE) file for full details.
+
+---
+
+## 🙏 Acknowledgments
+
+- Built with [PySide6](https://doc.qt.io/qtforpython/) (Qt for Python)
+- Data storage powered by [Apache Arrow](https://arrow.apache.org/) (Parquet format)
+- Scientific computing with [NumPy](https://numpy.org/), [SciPy](https://scipy.org/), and [pandas](https://pandas.pydata.org/)
+
+---
+
+<div align="center">
+
+**[⬆ Back to Top](#ppms-toolkit)**
+
+Made with ❤️ for the research community
+
+</div>

ppms_toolkit-0.2.1/environment.yml

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+name: ppms_toolkit
+channels:
+  - conda-forge
+  - defaults
+dependencies:
+  # Python 版本（3.12 性能更好，支持周期更长）
+  - python=3.12.0
+  
+  # 包管理工具
+  - pip=23.3.1
+  
+  # 科学计算核心库（版本确保兼容 Python 3.12）
+  - numpy=1.26.2      # >= 1.26.0 支持 Python 3.12
+  - scipy=1.11.4      # >= 1.11.2 支持 Python 3.12
+  - pandas=2.1.4      # >= 2.1.0 支持 Python 3.12
+  - matplotlib=3.8.2  # >= 3.8.0 支持 Python 3.12
+  
+  # 数据存储
+  - pyarrow=14.0.1    # Parquet 文件读写
+  
+  # 开发工具
+
+  
+  # 通过 pip 安装的包（conda 版本可能不稳定）
+  - pip:
+      - PySide6==6.7.2  # Qt6 GUI 框架（>= 6.5.0 支持 Python 3.12）  
+      - ipykernel==6.27.1  # Jupyter Notebook 支持
+      - ipython==8.18.1    # 增强交互式 shell