ovito-org / RingFinder

OVITO Python modifier to find shortest rings formed by bonds in a system

Ring finder

Finds shortest rings formed by bonds in the system

Description

The modifier outputs:

• Global Attributes:
  • "RingCount": Total number of rings found
  • "N-RingCount": Number of N-sized rings found.
• Data Tables:
  • "N-Rings": List of the particle indices making up the N-sized rings.
  • "Ring Sizes": Histogram of the different ring sizes.
• Surfaces:
  • "Ring Mesh": If selected contains the surface meshes visualizing the rings.

Parameters

• min_size / "Minimum ring size": Minimum size of the rings found by the modifier.
• max_size / "Maximum ring size": Maximum size of the rings found by the modifier.
• create_mesh / "Create mesh": Output meshes for each ring.
• triangulate_facets / "Triangulate facets": Triangulate facets using a different algorithm. Slower than the default algorithm used in OVITO, but can lead to better results for concave rings / polygons.
• mesh_vis / "SurfaceMeshVis": Visual element used for the output meshes.

Example

Using the default mesh generation for a concave polygon (ring):

Using the custom mesh generation for a concave polygon (ring):

Installation

• OVITO Pro integrated Python interpreter:

  ovitos -m pip install --user git+https://github.com/ovito-org/RingFinder.git
  

  The --user option is recommended and installs the package in the user's site directory.

• Other Python interpreters or Conda environments:

  pip install git+https://github.com/ovito-org/RingFinder.git
  

Technical information / dependencies

• Tested on OVITO version 3.9.3

Contact

Daniel Utt ([e-mail])