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add start stop step
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edisj committed Jul 26, 2024
1 parent a5a4c80 commit df7b62b
Showing 1 changed file with 13 additions and 2 deletions.
15 changes: 13 additions & 2 deletions mdaadb/analysis.py
Original file line number Diff line number Diff line change
Expand Up @@ -88,7 +88,16 @@ def _get_universe(self, simID: int) -> mda.Universe:

return universe

def run(self, simID: int, **kwargs: dict) -> None:
def run(
self,
simID: int,
start=None,
stop=None,
step=None,
frames=None,
verbose=None,
**kwargs: dict
) -> None:
"""Run the analysis for a simulation given by `simID`.
Parameters
Expand All @@ -108,7 +117,9 @@ def run(self, simID: int, **kwargs: dict) -> None:
if self.hooks["pre_run"] is not None:
self.hooks["pre_run"](self.db, simID)

self._analysis.run()
self._analysis.run(
start=start, stop=stop, step=step, frames=frames, verbose=verbose
)

if self.hooks["post_run"] is not None:
self.hooks["post_run"](self.db, simID)
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