Basic Usage Examples

Quick Start

import smolsat
import numpy as np
import matplotlib.pyplot as plt

# Create example trajectory
trajectory = smolsat.create_example_trajectory(
    num_particles=100,
    num_frames=1000
)

# Quick analysis
lag_times, msd_values = smolsat.quick_msd(trajectory)
times, rg_values = smolsat.quick_rg(trajectory)

# Plotting
fig, (ax1, ax2) = plt.subplots(1, 2, figsize=(12, 5))

ax1.loglog(lag_times, msd_values)
ax1.set_xlabel('Lag Time')
ax1.set_ylabel('MSD')
ax1.set_title('Mean Square Displacement')

ax2.plot(times, rg_values)
ax2.set_xlabel('Time')
ax2.set_ylabel('Rg')
ax2.set_title('Radius of Gyration')

plt.tight_layout()
plt.show()