epam / epam/Indigo

Convert api returns extended smiles even when outputFormat: 'chemical/x-daylight-smiles' parameter passed

Open
#3,580 1 comment 0 reactions 1 assignee Claimed by @even1024 View on GitHub
Dominant language
C++
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406
Forks
134
Avg merge
2d 11h
Merged PRs (30d)
24

Description

**Steps to Reproduce**
1. Call indigo convert api with such structure and parameters:

```
await ketcher.indigo.convert(`{
"ket_version": "2.0.0",
"root": {
"nodes": [
{
"$ref": "mol0"
}
],
"connections": [],
"templates": []
},
"mol0": {
"type": "molecule",
"atoms": [
{
"label": "N",
"location": [
19.315095221328697,
-9.222184227512344,
0
]
},
{
"label": "C",
"location": [
19.523007431698982,
-8.244036703294935,
0
]
},
{
"label": "N",
"location": [
20.43655281814842,
-7.8373007989523575,
0
]
},
{
"label": "O",
"location": [
20.33202462757249,
-6.842778686429238,
0
]
},
{
"label": "C",
"location": [
19.35387698414579,
-6.634866714477539,
0
]
},
{
"label": "C",
"location": [
18.853877094407792,
-5.7688412511349165,
0
]
},
{
"label": "C",
"location": [
17.853877046710885,
-5.7688412511349165,
0
]
},
{
"type": "rg-label",
"location": [
17.35387690485768,
-4.902815907001586,
0
],
"$refs": [
"rg-1"
]
},
{
"label": "C",
"location": [
17.353877067565918,
-6.634866714477539,
0
]
},
{
"label": "C",
"location": [
16.353877049671336,
-6.634866952896123,
0
]
},
{
"label": "C",
"location": [
15.853876802305463,
-5.768841608762792,
0
]
},
{
"label": "C",
"location": [
14.853877022829463,
-5.768841787576729,
0
]
},
{
"label": "C",
"location": [
14.353877013882173,
-6.6348673105239975,
0
]
},
{
"label": "C",
"location": [
14.853877022829463,
-7.500892654657328,
0
]
},
{
"type": "rg-label",
"location": [
14.353877013882173,
-8.36691811799995,
0
],
"$refs": [
"rg-2"
]
},
{
"label": "C",
"location": [
15.853877279142628,
-7.5008925354480365,
0
]
},
{
"label": "C",
"location": [
17.853877136117855,
-7.500892177820162,
0
]
},
{
"label": "C",
"location": [
18.8538769751985,
-7.500892177820162,
0
]
}
],
"bonds": [
{
"type": 1,
"atoms": [
0,
1
]
},
{
"type": 4,
"atoms": [
1,
2
]
},
{
"type": 4,
"atoms": [
2,
3
]
},
{
"type": 4,
"atoms": [
3,
4
]
},
{
"type": 4,
"atoms": [
4,
5
]
},
{
"type": 4,
"atoms": [
5,
6
]
},
{
"type": 1,
"atoms": [
6,
7
]
},
{
"type": 4,
"atoms": [
6,
8
]
},
{
"type": 1,
"atoms": [
8,
9
]
},
{
"type": 4,
"atoms": [
9,
10
]
},
{
"type": 4,
"atoms": [
10,
11
]
},
{
"type": 4,
"atoms": [
11,
12
]
},
{
"type": 4,
"atoms": [
12,
13
]
},
{
"type": 1,
"atoms": [
13,
14
]
},
{
"type": 4,
"atoms": [
13,
15
]
},
{
"type": 4,
"atoms": [
15,
9
]
},
{
"type": 4,
"atoms": [
8,
16
]
},
{
"type": 4,
"atoms": [
16,
17
]
},
{
"type": 4,
"atoms": [
17,
1
]
},
{
"type": 4,
"atoms": [
17,
4
]
}
],
"stereoFlagPosition": {
"x": 20.43655281814842,
"y": 3.902815907001586,
"z": 0
}
}
}`, { outputFormat: 'chemical/x-daylight-smiles' })
```

**Actual behavior**
System returns extended smiles:
```
{struct: 'Nc1c2c(cc%91c(c2)-c2cc%92ccc2)on1.[*:1]%91.[*:2]%92 |$;;;;;;;;;;;;;;;;_R1;_R2$|', format: 'chemical/x-daylight-smiles'}
```

**Expected behavior**
System returns daylight-smiles

Contributor guide

No contributing guide indexed for this repository

Assessment

This issue has not been assessed yet.

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