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Relax type for structurelist argument to TrajectoryData #7536

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Relax type for structurelist argument to TrajectoryData #7536

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1212ee9
Relax type for structurelist argument to TrajectoryData
danielhollas Aug 7, 2026
2bdf63a
Update docstring
danielhollas Aug 7, 2026
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8 changes: 4 additions & 4 deletions src/aiida/orm/nodes/data/array/trajectory.py
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Original file line number Diff line number Diff line change
Expand Up @@ -39,7 +39,7 @@ class AttributesModel(ArrayData.AttributesModel):
description='Periodic boundary conditions',
)

def __init__(self, structurelist: list[StructureData] | None = None, **kwargs: t.Any) -> None:
def __init__(self, structurelist: t.Sequence[StructureData] | None = None, **kwargs: t.Any) -> None:
super().__init__(**kwargs)

if structurelist is not None:
Expand Down Expand Up @@ -218,11 +218,11 @@ def set_trajectory(
except KeyError:
pass

def set_structurelist(self, structurelist: list[StructureData]) -> None:
def set_structurelist(self, structurelist: t.Sequence[StructureData]) -> None:
"""Create trajectory from the list of
:py:class:`aiida.orm.nodes.data.structure.StructureData` instances.

:param structurelist: a list of
:param structurelist: a sequence of
:py:class:`aiida.orm.nodes.data.structure.StructureData` instances.

:raises ValueError: if symbol lists of supplied structures are
Expand All @@ -233,7 +233,7 @@ def set_structurelist(self, structurelist: list[StructureData]) -> None:
stepids = numpy.arange(len(structurelist))
cells = numpy.array([x.cell for x in structurelist])
symbols_first = [str(s.kind_name) for s in structurelist[0].sites]
for symbols_now in [[str(s.kind_name) for s in structurelist[i].sites] for i in stepids]:
for symbols_now in [[str(s.kind_name) for s in structurelist[int(i)].sites] for i in stepids]:
if symbols_first != symbols_now:
raise ValueError('Symbol lists have to be the same for all of the supplied structures')
symbols = list(symbols_first)
Expand Down
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