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minimal changes to support loading cached QCPortal datasets (wip in M…
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j-wags committed Feb 16, 2024
1 parent 23fde57 commit 1d5021b
Showing 1 changed file with 7 additions and 2 deletions.
9 changes: 7 additions & 2 deletions openff/qcsubmit/results/results.py
Original file line number Diff line number Diff line change
Expand Up @@ -737,7 +737,8 @@ def from_datasets(

# Fetch all entries for use later. These get stored internally
# in the dataset class
dataset.fetch_entries()
# TODO: Is this necessary with QCF>=0.50?
#dataset.fetch_entries()

if spec_name not in dataset.specifications:
raise KeyError(
Expand All @@ -763,7 +764,11 @@ def from_datasets(
td_rec = TorsionDriveResult(
record_id=record.id, cmiles=cmiles, inchi_key=inchi_key
)
result_records[client.address][record.id] = td_rec
if client:
client_address = client_address
else:
client_address = "local"
result_records[client_address][record.id] = td_rec

return cls(
entries={
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