TrajPy User Interface

Overview

TrajPy GUI is a graphical interface for analyzing particle trajectories using the TrajPy library. It allows you to upload trajectory files, visualize them, compute various physical features, and export results. Getting Started

1. Upload Trajectory Files

• Click "Upload one or several files (CSV or YAML)"
• Select one or multiple files:
  • CSV files: Should contain trajectory coordinates (skip first line as header)
  • YAML files: LAMMPS dump format supported
• Multiple files can be uploaded sequentially (they accumulate)
• Status shows total files and trajectories loaded

2. Visualize Trajectories

• Click "Plot Trajectories" to display all loaded trajectories
• The plot shows:
  • Trajectory paths in different colors
  • Start points (circles)
  • End points (squares)
  • Legend identifying each trajectory

3. Select Features to Compute

• Choose from the following analysis features:
  • Anomalous Exponent: Characterizes diffusion type (α)
  • MSD Ratio: Mean Square Displacement ratio
  • Fractal dimension: Self-similarity measure
  • Anisotropy & Kurtosis: Shape and directional properties
  • Straightness: Path linearity
  • Efficiency: Direct vs. actual path ratio
  • Gaussianity: Displacement distribution normality
  • Diffusivity: Diffusion coefficient
  • Confinement Prob.: Probability of confined motion

4. Compute Results

• Select desired features using checkboxes
• Click "Compute!"
• Results for the first trajectory appear in the status area
• Warnings/errors are displayed if computation fails for any trajectory

5. Save Results Click "Save results (CSV)" after computation A CSV file (trajpy_results.csv) downloads automatically Contains computed features for all trajectories

6. About Click "About" for version information and contact details

Tips

• Upload files incrementally to analyze multiple datasets together
• NaN/Error values indicate computation issues for specific features
• Plot trajectories before computing to verify data loaded correctly