Relax type for structurelist argument to TrajectoryData

[danielhollas]

Found when trying to typecheck my AiiDAlab application, where I am passing a tuple[StructureData] as the structurelist argument to TrajectoryData

[coderabbitai]

No actionable comments were generated in the recent review. 🎉

ℹ️ Recent review info

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Configuration used: Organization UI

Review profile: CHILL

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Run ID: 744c3de0-0d64-420a-8d09-c398f07b4ed9

📥 Commits

Reviewing files that changed from the base of the PR and between 1212ee9 and 2bdf63a.

📒 Files selected for processing (1)

• src/aiida/orm/nodes/data/array/trajectory.py

🚧 Files skipped from review as they are similar to previous changes (1)

• src/aiida/orm/nodes/data/array/trajectory.py

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📝 Walkthrough

Walkthrough

TrajectoryData now accepts generic sequences of StructureData. Structure lookup converts generated step indices to integers before indexing.

Changes

Trajectory structure sequence support

Layer / File(s)	Summary
Sequence input handling src/aiida/orm/nodes/data/array/trajectory.py	TrajectoryData.__init__ and set_structurelist accept Sequence[StructureData]. Structure lookup converts generated step indices to integers.

Estimated code review effort: 1 (Trivial) | ~3 minutes

🚥 Pre-merge checks | ✅ 4 | ❌ 1

❌ Failed checks (1 warning)

Check name	Status	Explanation	Resolution
Docstring Coverage	⚠️ Warning	Docstring coverage is 66.67% which is insufficient. The required threshold is 80.00%.	Write docstrings for the functions missing them to satisfy the coverage threshold.

✅ Passed checks (4 passed)

Check name	Status	Explanation
Title check	✅ Passed	The title clearly summarizes the main change: accepting broader sequence types for the TrajectoryData structurelist argument.
Description check	✅ Passed	The description explains the type-checking issue caused by passing a tuple to TrajectoryData and directly relates to the changeset.
Linked Issues check	✅ Passed	Check skipped because no linked issues were found for this pull request.
Out of Scope Changes check	✅ Passed	Check skipped because no linked issues were found for this pull request.

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Caution

Some comments are outside the diff and can’t be posted inline due to platform limitations.

⚠️ Outside diff range comments (1)

src/aiida/orm/nodes/data/array/trajectory.py (1)

221-226: 📐 Maintainability & Code Quality | 🟡 Minor | ⚡ Quick win

Update the set_structurelist docstring for sequence input.

set_structurelist now accepts t.Sequence[StructureData], but the summary and :param structurelist: entry still describe a list. Change both descriptions to “sequence” and mention tuple support. Otherwise, the generated documentation contradicts the public type contract.

As per coding guidelines, keep the accepted type in the annotation and describe the parameter consistently in the Sphinx prose.

Proposed documentation update

-        """Create trajectory from the list of
+        """Create trajectory from a sequence 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.

🤖 Prompt for AI Agents

Verify each finding against current code. Fix only still-valid issues, skip the
rest with a brief reason, keep changes minimal, and validate.

In `@src/aiida/orm/nodes/data/array/trajectory.py` around lines 221 - 226, Update
the set_structurelist docstring summary and its :param structurelist:
description to say “sequence” instead of “list,” explicitly noting that tuples
are supported, while preserving the existing t.Sequence[StructureData]
annotation.

Source: Coding guidelines

🤖 Prompt for all review comments with AI agents

Verify each finding against current code. Fix only still-valid issues, skip the
rest with a brief reason, keep changes minimal, and validate.

Outside diff comments:
In `@src/aiida/orm/nodes/data/array/trajectory.py`:
- Around line 221-226: Update the set_structurelist docstring summary and its
:param structurelist: description to say “sequence” instead of “list,”
explicitly noting that tuples are supported, while preserving the existing
t.Sequence[StructureData] annotation.

---

ℹ️ Review info

⚙️ Run configuration

Configuration used: Organization UI

Review profile: CHILL

Plan: Pro Plus

Run ID: 968be460-6349-4df9-82ce-91233be57361

📥 Commits

Reviewing files that changed from the base of the PR and between 299e945 and 1212ee9.

📒 Files selected for processing (1)

• src/aiida/orm/nodes/data/array/trajectory.py

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 80.69%. Comparing base (299e945) to head (2bdf63a).

Additional details and impacted files

@@            Coverage Diff             @@
##             main    #7536      +/-   ##
==========================================
+ Coverage   80.68%   80.69%   +0.02%     
==========================================
  Files         581      581              
  Lines       47068    47068              
==========================================
+ Hits        37972    37977       +5     
+ Misses       9096     9091       -5     

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