Fix unrecognized Gaussian input format: *.com and *.gjf

[FanwangM]

The current implementation does not support .com and *gjf because it used module name instead of "PATTERNS".

Summary by Sourcery

Bug Fixes:

• Fix support for recognizing Gaussian input formats with extensions .com and .gjf by using patterns instead of module names.

[sourcery-ai]

Reviewer's Guide by Sourcery

The PR fixes a bug in file format recognition for Gaussian input files by modifying how file extensions are mapped to their corresponding format modules. Instead of using the module name as the key, it now uses the file extensions defined in the module's PATTERNS attribute.

Class diagram for format module mapping update

classDiagram
    class FormatModule {
        +PATTERNS: List<String>
    }
    class FormatMapper {
        +_find_format_modules(): Map<String, FormatModule>
    }
    FormatMapper --> FormatModule: uses PATTERNS for mapping
    note for FormatMapper "Now uses file extensions from PATTERNS instead of module names for mapping."

Loading

File-Level Changes

Change	Details	Files
Modified the format module registration logic to use file extensions from PATTERNS	Replaced single module registration with iteration over PATTERNS Changed dictionary key from module name to actual file extension Added support for multiple file extensions per module	iodata/api.py

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[deepsource-io]

Here's the code health analysis summary for commits f8af4e8..fbde455. View details on DeepSource ↗.

Analysis Summary

Analyzer	Status	Summary	Link
Shell	✅ Success		View Check ↗
Python	❌ Failure	❗ 1 occurence introduced	View Check ↗

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[sourcery-ai]

Hey @FanwangM - I've reviewed your changes - here's some feedback:

Overall Comments:

• There's a typo in the code: 'replate' should be 'replace'
• The implementation needs to handle potential conflicts when multiple format modules support the same file extension pattern

Here's what I looked at during the review

• 🟡 General issues: 1 issue found
• 🟢 Security: all looks good
• 🟢 Testing: all looks good
• 🟢 Complexity: all looks good
• 🟢 Documentation: all looks good

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[PaulWAyers]

Looks OK to me but I'd like an opinion from someone who does a lot more work with IOData.

[FanwangM]

I figured out the right way to use the database, and this should not be seen as a bug. So I am closing it here.