Developer documentation¶
This section targets contributors changing MolOP source, extending readers/writers, or maintaining data models.
Responsibility boundaries¶
Text Only
source -> codec/reader -> common File/Frame models -> summary/transform/DTO
↘ format-specific models
- A reader extracts source evidence and populates common or format-specific models.
- Common models define cross-format scientific results and units.
- A writer promises only information expressible by its target format.
- Database identity, admission policy, and reaction-path construction do not belong in a parser.
Development entry points¶
| Task | Documentation |
|---|---|
| Add a reader or writer | Plugin development |
| Read the complete parser/model constraints | Parser contract |
| Change documentation | Documentation contributions |
| Run tests and quality gates | Development environment and quality gates |
| Understand the common QM model | Common QM data model |
| Understand the ORCA input model | ORCA input model |
| Understand source lifecycle | API contracts |
User workflows must not depend on this section. Public API changes need corresponding user-guide and executable-example updates.