change assertion in test_m3gnet_site_transform #651
Conversation
WalkthroughThe recent changes enhance type-checking in the test suite for the Changes
Sequence Diagram(s)sequenceDiagram
participant Test as Test Suite
participant M3GNet as M3GNet Component
Test->>M3GNet: Run test_m3gnet_site_transform
M3GNet->>Test: Return atom_feat_dict
Test->>Test: Assert isinstance(atom_feat_dict, pd.DataFrame)
Test->>Test: Test passes if valid
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Outside diff range, codebase verification and nitpick comments (1)
tests/describers/test_m3gnet.py (1)
35-35: Inconsistency intransform_onereturn type and test assertionThe
transform_onemethod insrc/maml/describers/_m3gnet.pydoes not have a return type ofpd.DataFrame, which contradicts the test assertion intests/describers/test_m3gnet.py. This inconsistency should be addressed to ensure alignment between the implementation and the test expectations.
- File:
src/maml/describers/_m3gnet.py- Method:
transform_oneAnalysis chain
Verify the expected return type of
transform_one.The assertion now checks if
atom_feat_dictis apd.DataFrame, indicating a change in the expected output type from a dictionary to a DataFrame. Ensure that thetransform_onemethod inM3GNetSitehas been updated accordingly to return a DataFrame.Scripts executed
The following scripts were executed for the analysis:
Script:
#!/bin/bash # Description: Verify that the `transform_one` method in `M3GNetSite` returns a DataFrame. # Test: Search for the `transform_one` method in `M3GNetSite` and check its return type. ast-grep --lang python --pattern $'class M3GNetSite { $$$ def transform_one($_) -> pd.DataFrame: $$$ $$$ }'Length of output: 626
Script:
#!/bin/bash # Description: Verify the return type of the `transform_one` method in the `M3GNetSite` class. # Search for the `transform_one` method definition and check its return type annotation. ast-grep --lang python --pattern 'def transform_one($_) -> pd.DataFrame:' --search-inside-class M3GNetSiteLength of output: 347
Script:
#!/bin/bash # Description: Search for the `transform_one` method and check its return type annotation. # Search for the `transform_one` method definition in the codebase. ast-grep --lang python --pattern 'def transform_one($_):' -A 5Length of output: 64
Script:
#!/bin/bash # Description: Use ripgrep to search for the `transform_one` method across the codebase. # Search for the `transform_one` method definition in the codebase. rg 'def transform_one' -A 5Length of output: 7638
Summary
Change the assertion in test_m3gnet_site_transform to fix the error.
Checklist
ruff.mypy.duecredit@due.dcitedecorators to reference relevant papers by DOI (example)Tip: Install
pre-commithooks to auto-check types and linting before every commit: