CONTRIBUTING.md

Contributing to SpectraKit

Thank you for your interest in contributing to SpectraKit!

Development Setup

# Clone the repository
git clone https://github.com/ktubhyam/spectrakit.git
cd spectrakit

# Install in development mode
uv pip install -e ".[dev]"

# Verify installation
pytest

Running Quality Checks

# Lint
ruff check src/ tests/

# Format
ruff format src/ tests/

# Type check
mypy src/spectrakit/

# Tests with coverage
pytest --cov=spectrakit --cov-report=term-missing

Adding a New Processing Method

1. Create a new .py file in the appropriate subpackage (e.g., src/spectrakit/baseline/)
2. Follow the existing pattern (see als.py as reference):
   • from __future__ import annotations
   • logger = logging.getLogger(__name__)
   • Named constants at module top (DEFAULT_*)
   • Google-style docstrings with shape notation (W,), (N, W)
   • Use ensure_float64, validate_1d_or_2d, apply_along_spectra from _validate
3. Add to the subpackage __init__.py re-exports
4. Add to src/spectrakit/__init__.py re-exports and __all__
5. Write tests in the corresponding tests/test_*.py file

Adding a New File Format

1. Create src/spectrakit/io/format_name.py
2. Implement def read_format_name(path: str | Path) -> Spectrum
3. Gate optional deps behind DependencyError with install instructions
4. Add to [project.optional-dependencies] in pyproject.toml
5. Add to io/__init__.py and top-level __init__.py

Commit Messages

We use Conventional Commits:

• feat: — new feature
• fix: — bug fix
• refactor: — code change that neither fixes a bug nor adds a feature
• docs: — documentation only
• test: — adding or updating tests
• chore: — build, CI, or tooling changes

Code Style

• Python 3.10+ — use X | Y union syntax
• Strict type hints on all function signatures
• One concern per module
• No magic numbers — use named constants