WIP: Refinement tree #145

	# Move molfiles, metadata, and drawings at root to a subfolder named after the molecule.

	name: format_dataset
	on:
	push:
	paths:
	- 'tests/molfiles/**'
	workflow_dispatch:

	jobs:
	molecule_subdirectories:
	runs-on: ubuntu-latest
	steps:

	- name: checkout
	uses: actions/checkout@v2

	- name: move files
	run: \|
	shopt -s extglob # enables use of patterns when stripping `moldata` to obtain `molname`
	shopt -s nullglob # don't execute loop in case there's no matching `moldata`

	cd tests/molfiles
	for moldata in ./.mol ./_metadata.txt ./_drawing.; do
	molname=${moldata%@(.mol\|_metadata.txt\|_drawing.*)}
	if [ ! -d "$molname" ]; then
	echo "Making ${molname} directory."
	mkdir "${molname}"
	fi
	mv "$moldata" "${molname}"
	done

	- name: push changes
	run: \|
	git config user.name "GitHub Actions Bot"
	git config user.email "<>"
	git add .
	if ! git diff-index --quiet HEAD; then
	git commit -m "Auto-formatted test dataset."
	git push
	fi

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