Prepolymer + tetrafunctional agent¶

Script: examples/topology/11_prepolymer_agent.py

Linear EO chains keep free hydroxyl ends. A small-molecule agent (X4, four SITE a) is merged into the world; the same ETHER reaction couples ends to the agent through a proximity selector — agent curing is assembly, not a special API.

from eo_kit import ETHER, eo_builder, full_library
from molpy.builder.assembly import ExhaustiveSelector, GraphAssembler, Replicas
import molpy as mp

chain = eo_builder().build_linear("EO", 5)
agent = full_library()["X4"]
world = Replicas(chain).times(4, spacing=8.0)
# merge agent copies …
cured = GraphAssembler(mp.Reaction(ETHER)).assemble(
    world,
    ExhaustiveSelector(cutoff=10.0, exclude_same_molecule=True),
)

cd examples && python topology/11_prepolymer_agent.py

Prepolymer + tetrafunctional agent¶

See also¶