Block / sequence copolymer¶
Script: examples/topology/02_block.py
A sequence is a path whose sites name different units. {[#EO]|6[#PO]|4} is six EO then four PO; any order can be written out site by site.
import molpy as mp
from eo_kit import library
sites = mp.io.cgsmiles.CgSmilesIr("{[#EO]|6[#PO]|4}").to_coarsegrain()
block = mp.builder.Assembler(library(), mp.builder.GrowthPlacer()).assemble(sites, mp.Atomistic)
Check: 10 units, 84 atoms, 2 open ports.