Commit 22775afd authored Apr 01, 2024 by Tristen Liu

Merge branch 'testCases' into 'master'

Test cases generation for Molecule Database

See merge request ec504/ec504_projects/group4!3

parents c40d5066 913438d7

testcases/isomorphic_test/L-Theanine_iso.txt

0 → 100644

+55 −0

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

testcases/isomorphic_test/Vitamin-C_iso.txt

0 → 100644

+44 −0

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

testcases/isomorphic_test/acetylene_iso.txt

0 → 100644

+11 −0

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

testcases/isomorphic_test/adenine_iso.txt

0 → 100644

+33 −0

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

testcases/isomorphic_test/biotin_iso.txt

0 → 100644

+69 −0

Original line number	Diff line number	Diff line
		biotin
		32
		O
		C
		H
		H
		H
		H
		H
		C
		C
		O
		C
		H
		H
		H
		H
		H
		N
		H
		C
		C
		H
		C
		H
		C
		H
		C
		C
		N
		S
		O
		H
		H
		26 23
		26 28
		26 14
		26 22
		23 10
		23 27
		23 13
		10 8
		10 16
		10 11
		8 28
		8 21
		8 17
		21 1
		21 15
		21 30
		1 18
		1 6
		1 3
		18 7
		18 24
		18 5
		7 19
		7 4
		7 31
		19 9
		19 9
		19 29
		29 20
		16 25
		16 12
		25 0
		25 0
		25 27
		27 2