https://github.com/jcmgray/polyknot

C code to heuristically analyse 'knots' in open chains such as polymers.
https://github.com/jcmgray/polyknot

Last synced: 15 days ago
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C code to heuristically analyse 'knots' in open chains such as polymers.

• Host: GitHub
• URL: https://github.com/jcmgray/polyknot
• Owner: jcmgray
• License: apache-2.0
• Created: 2014-10-01T12:23:29.000Z (over 10 years ago)
• Default Branch: master
• Last Pushed: 2014-10-15T16:40:28.000Z (about 10 years ago)
• Last Synced: 2024-10-31T08:52:19.022Z (2 months ago)
• Language: C
• Size: 160 KB
• Stars: 1
• Watchers: 2
• Forks: 0
• Open Issues: 8
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
PolyKnot

========

A C-library to heuristically identify and analyse 'knots' in open chains such as

polymers. On receipt of the positions of a beads along the chain or string the

function finds: crossing number, knot size and knot position.

Usage

-----

* Create knot struct.

* Vector inputted needs to describe the positions of the 'joints' or 'beads' in the

chain with length 3N like so: **r** = ( x1, y1, z1, x2, y2, z2 ... xN, yN, zN )

* Run analysis on knot object and chosen vector.

* Clear knot struct.

Theory

------

PolyKnot 'unties' an arbitrary length chain via Reidemeister moves rather than

attempting to classify the knot through symbolic representation of the

crossings and subsequent simplification and recognition of a polynomial. The

benefit of this, aside from being more a efficient routine in terms of memory and

CPU expense, is the possibility of identifying a knot's 'position' and 'size'

along a open chain without forcing the ends together.

To Do

-----

* More efficient exploration of Reidemeister 3 moves.

* Find best combination of projections.

* Memory optimise.

* categorise knots with cross count (via recognition)

* Two knots?