SimplifiedBalanceNetwork¶

class pylimer_tools_cpp.SimplifiedBalanceNetwork¶

Bases: pybind11_object

A more efficient structure of the network for use in MEHP force balance, namely MEHPForceBalance, though also passable to namely MEHPForceBalance2. Consists usually only of the cross- and slip-links (and their connectivity), i.e., no “normal strand beads” in between, in order to reduce the degrees of freedom and therewith improve performance of the solver.

A note on the terminology: a spring is the connection between two links (crosslink, entanglement-link/slip-link). A strand is a chain of connected links between two crosslinks.

Attributes Summary

`box_lengths`
`coordinates`
`link_is_sliplink`
`links_of_strand`
`nr_of_crosslink_swaps_endured`
`nr_of_crosslinks`
`nr_of_links`
`nr_of_springs`
`nr_of_strands`
`old_atom_ids`
`spring_box_offset`
`spring_coordinate_index_a`
`spring_coordinate_index_b`
`spring_index_a`
`spring_index_b`
`springs_of_strand`
`strand_contour_length`
`strand_coordinate_index_a`
`strand_coordinate_index_b`
`strand_index_a`
`strand_index_b`
`strand_of_spring`
`strands_of_link`
`volume`

Attributes Documentation

box_lengths¶

coordinates¶

link_is_sliplink¶

links_of_strand¶

nr_of_crosslink_swaps_endured¶

nr_of_crosslinks¶

nr_of_links¶

nr_of_springs¶

nr_of_strands¶

old_atom_ids¶

spring_box_offset¶

spring_coordinate_index_a¶

spring_coordinate_index_b¶

spring_index_a¶

spring_index_b¶

springs_of_strand¶

strand_contour_length¶

strand_coordinate_index_a¶

strand_coordinate_index_b¶

strand_index_a¶

strand_index_b¶

strand_of_spring¶

strands_of_link¶

volume¶