Description Usage Arguments Details Value Note Author(s) References See Also Examples
View source: R/HOMFLYpolynomial.R
Compute the HOMFLY polynomial of a polygonal link, given its skein tree
(generated by skeinIterator
)
1 | HOMFLYpolynomial(leaves, tree, skein.sign = -1)
|
leaves |
a list containing the binary indices of the tree leaves |
tree |
a list containing the skein tree as
returned by |
skein.sign |
the skein sign to be used (+1 or -1) |
The polynomial computation relies on rSymPy
.
Please notice that the first time sympy is invoked is expected to be
much slower than subsequent ones.
the HOMFLY polynomial
This is a low-level function.
Federico Comoglio, federico.comoglio@bsse.ethz.ch
Freyd P, Yetter D, Hoste J, Lickorish WBR, Millett K, et al. (1985) A new polynomial invariant of knots and links. Bull Amer Math Soc (NS) 12: 239-246.
Kauffman, L. Knots and Physics. Teaneck, NJ: World Scientific, p. 19, 1991.
Comoglio F. and Rinaldi M. (2011) A Topological Framework for the Computation of the HOMFLY Polynomial and Its Application to Proteins PLoS ONE 6(4): e18693, doi:10.1371/journal.pone.0018693 ArXiv:1104.3405
HOMFLY2mirror
,
HOMFLY2Alexander
,
HOMFLY2Jones
1 2 3 4 5 6 7 8 9 10 11 12 13 14 | ## Not run:
## Import a PDB file from the file system
protein <- makeExampleProtein()
## Reduce to minimal structure
protein.reduced <- AlexanderBriggs(protein$A)
## Compute the skein tree
tree <- skeinIterator(protein.reduced$points3D, protein.reduced$ends)
## Compute the HOMFLY polynomial
HOMFLYpolynomial(tree$leaves, tree$tree, skein.sign = -1)
## End(Not run)
|
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