phase-separation

A package to determine clusters in simulations of mixtures. Some of the work based off of: https://github.com/upandacross/Hetrogenous-vs-Homogenous

This package contains functions in Python that allow a user to determine the amount of components of a fluid in solution from images rendered from VMD. To do so, the following workflow should be used:

1. Render images in VMD: An example VMD script is given, which will loop through a set of simulation trajectories and render an image of each system.

2. Process the images: image_process.py contains a variety of functions that will process the raw image from VMD. Processing techniques include:

   • Image convolution
   • Otsu's Thresholding
   • K-Mean's Clustering to determine dominant image color

3. Connected Components labeling: connections.py contains count_connections function that will count the number of components from a processed image.