Commit 7bfca1a3 authored Apr 01, 2024 by Hyun Soo Kim

Merge branch 'combine_wip_db_and_MoleculeClass' into 'master'

working command-line interface

See merge request ec504/ec504_projects/group4!1

parents 2ba90282 6db54884

.gitignore

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+35 −0

Original line number	Diff line number	Diff line
		### IntelliJ IDEA ###
		out/
		!/src/main//out/
		!/src/test//out/

		### Eclipse ###
		.apt_generated
		.classpath
		.factorypath
		.project
		.settings
		.springBeans
		.sts4-cache
		bin/
		!/src/main//bin/
		!/src/test//bin/

		### NetBeans ###
		/nbproject/private/
		/nbbuild/
		/dist/
		/nbdist/
		/.nb-gradle/

		### VS Code ###
		.vscode/

		### Mac OS ###
		.DS_Store

		.idea/
		*.db
		*.bin

Molecules/L-Theanine.txt

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+55 −0

Original line number	Diff line number	Diff line
		L-Theanine
		26
		C
		C
		N
		C
		O
		C
		C
		C
		C
		O
		O
		N
		H
		H
		H
		H
		H
		H
		H
		H
		H
		H
		H
		H
		H
		H
		0 1
		0 12
		0 13
		0 14
		1 2
		1 15
		1 16
		2 3
		2 17
		3 4
		3 4
		3 5
		5 6
		5 18
		5 19
		6 7
		6 20
		6 21
		7 8
		7 11
		7 22
		8 9
		8 9
		8 10
		10 23
		11 24
		11 25

Molecules/Vitamin-C.txt

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+44 −0

Original line number	Diff line number	Diff line
		Vitamin-C
		20
		C
		C
		C
		C
		C
		C
		O
		O
		O
		O
		O
		O
		H
		H
		H
		H
		H
		H
		H
		H
		0 1
		0 11
		0 12
		0 13
		1 2
		1 10
		1 14
		2 3
		2 7
		2 15
		3 4
		3 4
		3 9
		4 5
		4 8
		5 6
		5 6
		5 7
		8 16
		9 17
		10 18
		11 19

Molecules/acetylene.txt

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+11 −0

Original line number	Diff line number	Diff line
		acetylene
		4
		C
		C
		H
		H
		0 1
		0 1
		0 1
		0 2
		1 3

Molecules/adenine.txt

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+33 −0

Original line number	Diff line number	Diff line
		adenine
		15
		C
		N
		C
		C
		N
		C
		N
		C
		N
		N
		H
		H
		H
		H
		H
		0 1
		0 8
		0 10
		1 2
		1 11
		2 3
		2 9
		3 4
		3 7
		4 5
		5 6
		5 12
		6 7
		7 8
		9 13
		9 14