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Faster reading of ConfigSet that's yielded by ConfigSet.groups() #293

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merged 2 commits into from
Feb 20, 2024
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Merged

Faster reading of ConfigSet that's yielded by ConfigSet.groups() #293

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8314da7
Faster reading of actual configs for a ConfigSet that has _file_loc set,
bernstei Feb 20, 2024
79492f0
Merge branch 'main' into fast_groups_iter
bernstei Feb 20, 2024
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12 changes: 12 additions & 0 deletions wfl/configset.py
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Original file line number Diff line number Diff line change
Expand Up @@ -144,6 +144,18 @@ def __iter__(self):
if self.items is None:
return

# special handling for ConfigSet generated by groups() iterator, which
# sets self._cur_at, self._file_loc, and self._open_reader
if self._file_loc is not None and len(self._file_loc) > 0 and self._cur_at[0] is not None:
assert self._open_reader is not None
while self._cur_at[0].info["_ConfigSet_loc"].startswith(self._file_loc):
yield self._cur_at[0]
try:
self._cur_at[0] = next(self._open_reader)
except StopIteration:
break
return

if isinstance(self.items, Path):
# yield Atoms from one file
## print("DEBUG __iter__ one file", self.items)
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