Convert error when trying to save file in InChi format in case atom's alias is presented
- Dominant language
- C++
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- 2d 11h
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Description
**Steps to Reproduce**
Send POST request to https://lifescience.opensource.epam.com/v2/indigo/convert
with following payload
{
"struct": "\n Ketcher 9 22118412D 1 1.00000 0.00000 0\n\n 12 11 0 0 0 0 999 V2000\n 6.4250 -4.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6838 -5.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6497 -5.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9086 -6.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8745 -6.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1333 -7.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0992 -8.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3581 -9.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3240 -9.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5828 -10.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5487 -10.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8075 -11.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 0 0 0\nA 3\nalias123\nM UNS 1 3 0\nM END\n",
"output_format": "chemical/x-inchi",
"options": {
"smart-layout": true,
"ignore-stereochemistry-errors": true,
"mass-skip-error-on-pseudoatoms": false,
"gross-formula-add-rsites": true,
"gross-formula-add-isotopes": true
}
}
**Expected behavior**
Status Code: 200 OK
Alias should be removed
Response:
{
"format": "chemical/x-inchi",
"struct": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3"
}
**Actual behavior**
Status Code: 400 BAD REQUEST
Error: Convert error!
IndigoException: core: \ is not a molecule
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