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Attach label to node
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stefsmeets committed Jun 4, 2024
1 parent af3b095 commit d11abfa
Showing 1 changed file with 3 additions and 0 deletions.
3 changes: 3 additions & 0 deletions src/gemdat/jumps.py
Original file line number Diff line number Diff line change
Expand Up @@ -375,6 +375,9 @@ def to_graph(

G = nx.DiGraph()

for i, site in enumerate(self.sites):
G.add_node(i, label=site.label)

for (start, stop), n_jumps in self._counter().items():
time_perc = atom_percentage[start] * self.trajectory.total_time

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