特定の残基に対して、構造の重ね合わせとRMSDの計算をし、res_rmsd.datに書き込むようにしました #94

	name: unittest

	on: [push]

	jobs:
	buildx:
	runs-on: ubuntu-latest
	steps:
	- name: Checkout
	uses: actions/checkout@v3
	- name: Build
	uses: docker/build-push-action@master
	with:
	context: .devcontainer
	tags: exprorer_msmd
	push: false

	- name: Unittest
	uses: addnab/docker-run-action@v3
	with:
	image: exprorer_msmd
	options: -v ${{ github.workspace }}:/work
	run: \|
	cd /work
	python -m pytest .

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