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update stress-testing script to set delay_between_calls
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PythonFZ committed Nov 13, 2024
1 parent b592bff commit 7c3eeff
Showing 1 changed file with 6 additions and 2 deletions.
8 changes: 6 additions & 2 deletions examples/stress_testing.py
Original file line number Diff line number Diff line change
@@ -1,13 +1,17 @@
import tqdm
from rdkit2ase import smiles2conformers
import uuid
import datetime

#### Import ZnDraw ####
from zndraw import ZnDraw

vis = ZnDraw(url="https://zndraw.icp.uni-stuttgart.de/", token="6b1d9f77")
vis = ZnDraw(url="https://zndraw.icp.uni-stuttgart.de/", token=uuid.uuid4().hex)
#### ------------- ####

conformers = smiles2conformers("CCCCCCCCCO", numConfs=100)
vis._refresh_client.delay_between_calls = datetime.timedelta(milliseconds=10)

conformers = smiles2conformers("CCCCCCCCCO", numConfs=1000)

# append
for atoms in tqdm.tqdm(conformers, desc="append", ncols=80):
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