Data type expand #388
Data type expand #388
Conversation
now add data also accepts data besides a list. Added corresponding logic to make it function properly.
WalkthroughThe recent update in Changes
Sequence Diagram(s)sequenceDiagram
participant User
participant MigrationGraph
participant EdgeDataModule as edge_data_from_sc.py
User->>EdgeDataModule: call add_edge_data_from_sc(data_array)
EdgeDataModule->>EdgeDataModule: Check type of data_array
alt data_array is list
EdgeDataModule->>MigrationGraph: Add list data
else data_array is str
EdgeDataModule->>MigrationGraph: Add string data
else data_array is float
EdgeDataModule->>MigrationGraph: Add float data
end
MigrationGraph->>User: Return result
Assessment against linked issues
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| add_edge_data_from_sc( | ||
| mg_Li, | ||
| i_sc=input_struct_i, | ||
| e_sc=input_struct_e, | ||
| data_array=test_single_key, | ||
| key=test_single, | ||
| ) |
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The parameters data_array and key appear to be swapped in the function call.
- data_array=test_single_key,
- key=test_single,
+ data_array=test_single,
+ key=test_single_key,Committable suggestion
‼️ IMPORTANT
Carefully review the code before committing. Ensure that it accurately replaces the highlighted code, contains no missing lines, and has no issues with indentation.
| add_edge_data_from_sc( | |
| mg_Li, | |
| i_sc=input_struct_i, | |
| e_sc=input_struct_e, | |
| data_array=test_single_key, | |
| key=test_single, | |
| ) | |
| add_edge_data_from_sc( | |
| mg_Li, | |
| i_sc=input_struct_i, | |
| e_sc=input_struct_e, | |
| data_array=test_single, | |
| key=test_single_key, | |
| ) |
|
@shyuep My most sincere apologies for the delay. The PR should now be ready to merge, please take a look when you have chance. Thanks in advance! |
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Actionable comments posted: 0
Outside diff range, codebase verification and nitpick comments (1)
pymatgen/analysis/diffusion/utils/edge_data_from_sc.py (1)
59-62: Conditional check for data types.The conditional check correctly handles the different data types for
data_array. However, consider adding a type hint for better readability.- if isinstance(data_array, list): + if isinstance(data_array, list | str | float):
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Files selected for processing (2)
- pymatgen/analysis/diffusion/utils/edge_data_from_sc.py (2 hunks)
- pymatgen/analysis/diffusion/utils/tests/test_edge_data_from_sc.py (1 hunks)
Files skipped from review due to trivial changes (1)
- pymatgen/analysis/diffusion/utils/tests/test_edge_data_from_sc.py
Additional comments not posted (1)
pymatgen/analysis/diffusion/utils/edge_data_from_sc.py (1)
31-31: Enhanced data input flexibility.The
data_arrayparameter now accepts a list, string, or float, increasing the flexibility of the function.
|
Thanks. |
inheriting from #348. Closed #348 to avoid spamming inboxes, but linting should pass now.
Major changes:
Enhanced the data input flexibility in the migration graph tool, now accepting multiple data types including lists, strings, integers, and floats.
Added a new test case to ensure the migration graph tool accurately processes single key-value pairs.
Summary by CodeRabbit
New Features
add_edge_data_from_scfunction to acceptlist,str, orfloattypes for thedata_arrayparameter.Bug Fixes
data_arrayappropriately in theMigrationGraph.Tests
add_edge_data_from_scto verify functionality with varied data types and specific scenarios.