tests

Update API and add support for small molecules #192

	name: tests

	on:
	push:
	branches: [ main ]
	pull_request:
	branches: [ main ]

	jobs:
	build:
	runs-on: ${{ matrix.os }}
	strategy:
	matrix:
	os: [ubuntu-latest, windows-latest, macos-latest]

	steps:
	- uses: actions/checkout@v3
	- name: Set up Python 3.10
	uses: actions/setup-python@v4
	with:
	python-version: "3.10"

	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	pip install pytest pytest-cov wheel
	pip install -e .

	- name: Run unit and system tests
	run: \|
	pytest --cov=depthcharge tests/

	- name: Upload coverage to codecov
	uses: codecov/codecov-action@v3
	with:
	token: ${{ secrets.CODECOV_TOKEN }}
	fail_ci_if_error: true

Provide feedback