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#1296 Add "customQuery" option support to ket format
Add missed UT file.
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api/tests/integration/tests/formats/ref/ket_with_custom_query.ket
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,123 @@ | ||
| { | ||
| "root": { | ||
| "nodes": [ | ||
| { | ||
| "$ref": "mol0" | ||
| } | ||
| ] | ||
| }, | ||
| "mol0": { | ||
| "type": "molecule", | ||
| "atoms": [ | ||
| { | ||
| "label": "C", | ||
| "location": [ | ||
| 6.3348493576049809, | ||
| -5.550074577331543, | ||
| 0.0 | ||
| ] | ||
| }, | ||
| { | ||
| "label": "C", | ||
| "location": [ | ||
| 8.06515121459961, | ||
| -5.549589157104492, | ||
| 0.0 | ||
| ] | ||
| }, | ||
| { | ||
| "label": "C", | ||
| "location": [ | ||
| 7.2016377449035648, | ||
| -5.049966812133789, | ||
| 0.0 | ||
| ] | ||
| }, | ||
| { | ||
| "label": "C", | ||
| "location": [ | ||
| 8.06515121459961, | ||
| -6.55053186416626, | ||
| 0.0 | ||
| ] | ||
| }, | ||
| { | ||
| "label": "C", | ||
| "location": [ | ||
| 6.3348493576049809, | ||
| -6.555019855499268, | ||
| 0.0 | ||
| ] | ||
| }, | ||
| { | ||
| "label": "C", | ||
| "location": [ | ||
| 7.203820705413818, | ||
| -7.050033092498779, | ||
| 0.0 | ||
| ], | ||
| "queryProperties": { | ||
| "customQuery": "C&X3,N&X2" | ||
| } | ||
| } | ||
| ], | ||
| "bonds": [ | ||
| { | ||
| "type": 2, | ||
| "atoms": [ | ||
| 2, | ||
| 0 | ||
| ] | ||
| }, | ||
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| "atoms": [ | ||
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| 1 | ||
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| 4 | ||
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| 2 | ||
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| 5 | ||
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| }, | ||
| { | ||
| "type": 1, | ||
| "atoms": [ | ||
| 5, | ||
| 3 | ||
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| } | ||
| ], | ||
| "sgroups": [ | ||
| { | ||
| "type": "MUL", | ||
| "atoms": [ | ||
| 0, | ||
| 1, | ||
| 2, | ||
| 3, | ||
| 4, | ||
| 5 | ||
| ], | ||
| "mul": 1 | ||
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| } | ||
| } |