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* - added 6 tests to 'atom-tool'; - added expected snapshots; - added function 'takeRightToolbarScreenshot' * - added tests to 'atom-tools'; - added expected snapshots; - added 12 test files * - added tests to 'atom-tool' - added expected snapshots; - added 1 test file; * - added tests to 'atom-tools'; - added expected snapshots; - added 'type Atoms = Exclude' to 'buttons.ts' * - code refactoring; - refactoring function selectAtomsFromPeriodicTable; - added data-testid to 'Atom.jsx' * - code refactoring; - added 'excludeAtoms.ts'
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ketcher-autotests/tests/Structure-Creating-&-Editing/Atom/Atom-Tool/atom-tool.spec.ts
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ketcher-autotests/tests/test-data/KET/three-bonded-atoms.ket
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ketcher-autotests/tests/test-data/Molfiles-V2000/chain-with-colored-atoms-expected.mol
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ketcher-autotests/tests/test-data/Molfiles-V2000/structure-list-notlist-expected.mol
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12.4769 -8.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
13.3430 -8.0500 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 | ||
14.2090 -8.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
15.0750 -8.0500 0.0000 AH 0 0 0 0 0 0 0 0 0 0 0 0 | ||
15.9410 -8.5500 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 | ||
16.8071 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
17.6731 -8.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
18.5391 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
1 2 1 0 0 0 | ||
2 3 1 0 0 0 | ||
3 4 1 0 0 0 | ||
4 5 1 0 0 0 | ||
5 6 1 0 0 0 | ||
6 7 1 0 0 0 | ||
7 8 1 0 0 0 | ||
8 9 1 0 0 0 | ||
M ALS 3 3 F W Pb Se | ||
M ALS 6 3 T Pm Pu Ti | ||
M END |
24 changes: 24 additions & 0 deletions
24
ketcher-autotests/tests/test-data/Molfiles-V2000/structure-list-notlist.mol
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@@ -0,0 +1,24 @@ | ||
|
||
Ketcher 9262315122D 1 1.00000 0.00000 0 | ||
|
||
9 8 0 0 0 0 0 0 0 0999 V2000 | ||
8.9750 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
9.8410 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
10.7071 -6.5000 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 | ||
11.5731 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
12.4391 -6.5000 0.0000 AH 0 0 0 0 0 0 0 0 0 0 0 0 | ||
13.3051 -7.0000 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 | ||
14.1712 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
15.0372 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
15.9032 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
1 2 1 0 0 0 | ||
2 3 1 0 0 0 | ||
3 4 1 0 0 0 | ||
4 5 1 0 0 0 | ||
5 6 1 0 0 0 | ||
6 7 1 0 0 0 | ||
7 8 1 0 0 0 | ||
8 9 1 0 0 0 | ||
M ALS 3 3 F W Pb Se | ||
M ALS 6 3 T Pm Pu Ti | ||
M END |
55 changes: 55 additions & 0 deletions
55
ketcher-autotests/tests/test-data/Rxn-V2000/reaction-list-notlist-expected.rxn
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Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1,55 @@ | ||
$RXN | ||
|
||
-INDIGO- 0926231819 | ||
|
||
1 1 | ||
$MOL | ||
|
||
-INDIGO-09262318192D | ||
|
||
9 8 0 0 0 0 0 0 0 0999 V2000 | ||
5.0234 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
5.8894 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
6.7555 -8.0000 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 | ||
7.6215 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
8.4875 -8.0000 0.0000 AH 0 0 0 0 0 0 0 0 0 0 0 0 | ||
9.3535 -8.5000 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 | ||
10.2196 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
11.0856 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
11.9516 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
1 2 1 0 0 0 0 | ||
2 3 1 0 0 0 0 | ||
3 4 1 0 0 0 0 | ||
4 5 1 0 0 0 0 | ||
5 6 1 0 0 0 0 | ||
6 7 1 0 0 0 0 | ||
7 8 1 0 0 0 0 | ||
8 9 1 0 0 0 0 | ||
M ALS 3 3 F W Pb Se | ||
M ALS 6 3 T Pm Pu Ti | ||
M END | ||
$MOL | ||
|
||
-INDIGO-09262318192D | ||
|
||
9 8 0 0 0 0 0 0 0 0999 V2000 | ||
18.1984 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
19.0644 -8.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
19.9305 -8.1000 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 | ||
20.7965 -8.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
21.6625 -8.1000 0.0000 AH 0 0 0 0 0 0 0 0 0 0 0 0 | ||
22.5285 -8.6000 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 | ||
23.3946 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
24.2606 -8.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
25.1266 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
1 2 1 0 0 0 0 | ||
2 3 1 0 0 0 0 | ||
3 4 1 0 0 0 0 | ||
4 5 1 0 0 0 0 | ||
5 6 1 0 0 0 0 | ||
6 7 1 0 0 0 0 | ||
7 8 1 0 0 0 0 | ||
8 9 1 0 0 0 0 | ||
M ALS 3 3 F W Pb Se | ||
M ALS 6 3 T Pm Pu Ti | ||
M END |
55 changes: 55 additions & 0 deletions
55
ketcher-autotests/tests/test-data/Rxn-V2000/reaction-list-notlist.rxn
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Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1,55 @@ | ||
$RXN | ||
|
||
-INDIGO- 0926232053 | ||
|
||
1 1 | ||
$MOL | ||
|
||
-INDIGO-09262320532D | ||
|
||
9 8 0 0 0 0 0 0 0 0999 V2000 | ||
3.2609 -7.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
4.1269 -8.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
4.9930 -7.8750 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 | ||
5.8590 -8.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
6.7250 -7.8750 0.0000 AH 0 0 0 0 0 0 0 0 0 0 0 0 | ||
7.5910 -8.3750 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 | ||
8.4571 -7.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
9.3231 -8.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
10.1891 -7.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
1 2 1 0 0 0 0 | ||
2 3 1 0 0 0 0 | ||
3 4 1 0 0 0 0 | ||
4 5 1 0 0 0 0 | ||
5 6 1 0 0 0 0 | ||
6 7 1 0 0 0 0 | ||
7 8 1 0 0 0 0 | ||
8 9 1 0 0 0 0 | ||
M ALS 3 3 F W Pb Se | ||
M ALS 6 3 T Pm Pu Ti | ||
M END | ||
$MOL | ||
|
||
-INDIGO-09262320532D | ||
|
||
9 8 0 0 0 0 0 0 0 0999 V2000 | ||
16.4359 -7.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
17.3019 -8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
18.1680 -7.9750 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 | ||
19.0340 -8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
19.9000 -7.9750 0.0000 AH 0 0 0 0 0 0 0 0 0 0 0 0 | ||
20.7660 -8.4750 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0 | ||
21.6321 -7.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
22.4981 -8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
23.3641 -7.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
1 2 1 0 0 0 0 | ||
2 3 1 0 0 0 0 | ||
3 4 1 0 0 0 0 | ||
4 5 1 0 0 0 0 | ||
5 6 1 0 0 0 0 | ||
6 7 1 0 0 0 0 | ||
7 8 1 0 0 0 0 | ||
8 9 1 0 0 0 0 | ||
M ALS 3 3 F W Pb Se | ||
M ALS 6 3 T Pm Pu Ti | ||
M END |
51 changes: 51 additions & 0 deletions
51
ketcher-autotests/tests/test-data/Rxn-V2000/reaction-with-colored-atoms-expected.rxn
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Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1,51 @@ | ||
$RXN | ||
|
||
-INDIGO- 0926231819 | ||
|
||
1 1 | ||
$MOL | ||
|
||
-INDIGO-09262318192D | ||
|
||
9 8 0 0 0 0 0 0 0 0999 V2000 | ||
4.1929 -7.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
5.0589 -8.4125 0.0000 Xe 0 0 0 0 0 0 0 0 0 0 0 0 | ||
5.9250 -7.9125 0.0000 Ti 0 0 0 0 0 0 0 0 0 0 0 0 | ||
6.7910 -8.4125 0.0000 K 0 0 0 0 0 0 0 0 0 0 0 0 | ||
7.6570 -7.9125 0.0000 Np 0 0 0 0 0 0 0 0 0 0 0 0 | ||
8.5230 -8.4125 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 | ||
9.3891 -7.9125 0.0000 Th 0 0 0 0 0 0 0 0 0 0 0 0 | ||
10.2551 -8.4125 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 | ||
11.1211 -7.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
1 2 1 0 0 0 0 | ||
2 3 1 0 0 0 0 | ||
3 4 1 0 0 0 0 | ||
4 5 1 0 0 0 0 | ||
5 6 1 0 0 0 0 | ||
6 7 1 0 0 0 0 | ||
7 8 1 0 0 0 0 | ||
8 9 1 0 0 0 0 | ||
M END | ||
$MOL | ||
|
||
-INDIGO-09262318192D | ||
|
||
9 8 0 0 0 0 0 0 0 0999 V2000 | ||
19.0289 -8.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
19.8949 -8.6875 0.0000 Xe 0 0 0 0 0 0 0 0 0 0 0 0 | ||
20.7609 -8.1875 0.0000 Ti 0 0 0 0 0 0 0 0 0 0 0 0 | ||
21.6270 -8.6875 0.0000 K 0 0 0 0 0 0 0 0 0 0 0 0 | ||
22.4930 -8.1875 0.0000 Np 0 0 0 0 0 0 0 0 0 0 0 0 | ||
23.3590 -8.6875 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 | ||
24.2251 -8.1875 0.0000 Th 0 0 0 0 0 0 0 0 0 0 0 0 | ||
25.0911 -8.6875 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 | ||
25.9571 -8.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
1 2 1 0 0 0 0 | ||
2 3 1 0 0 0 0 | ||
3 4 1 0 0 0 0 | ||
4 5 1 0 0 0 0 | ||
5 6 1 0 0 0 0 | ||
6 7 1 0 0 0 0 | ||
7 8 1 0 0 0 0 | ||
8 9 1 0 0 0 0 | ||
M END |
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