randomly_sample_entanglements

pylimer_tools_cpp.randomly_sample_entanglements(universe: pylimer_tools_cpp.Universe, nr_of_samples: int, upper_cutoff: float, lower_cutoff: float = 0, minimum_nr_of_samples: int = 0, same_strand_cutoff: float = 3.0, seed: str = '', crosslinker_type: int = 2, ignore_crosslinks: bool = True, filter_dangling_and_soluble: bool = False) → pylimer_tools_cpp.AtomPairEntanglements

Randomly find pairs of atoms that are close together and could be entanglements

Parameters:

• universe – The universe of atoms from which to sample entanglements from.

• nr_of_samples – The number of pairs of atoms to randomly sample.

• upper_cutoff – The maximum distance between atoms for a pair to be considered a potential entanglement.

• lower_cutoff – The minimum distance between atoms for a pair to be considered a potential entanglement.

• minimum_nr_of_samples – The minimum number of entanglements to be found.

• same_strand_cutoff – The maximum distance between atoms on the same strand for a pair to be considered a potential entanglement.

• seed – A seed for the random number generator.

• crosslinker_type – The type of crosslinker to consider when finding entanglements. Used for the splitting into strands.

• ignore_crosslinks – Whether to ignore crosslinks when finding entanglements. Careful: if you don’t ignore them, the same-strand policy might not work correctly, since each crosslink should actually be associated with more than one strand.

• filter_dangling_and_soluble – Whether to filter out dangling chains and soluble crosslinks when finding entanglements. This means, entanglements involving an obviously (1st order) dangling or soluble chain are