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Some query properties are not stored in Mol V2000 #3872
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Add support for all query properties in Mol V2000
Some query properties in are not stored in Mol V2000
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Some query properties in are not stored in Mol V2000
Some query properties are not stored in Mol V2000
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… conditions for handling of mol v2000 (#3892)
Closed as agreed with @AlexanderSavelyev |
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Some query properties (namely Implicit H, Connectivity, Ring Membership, Ring Size, Aromaticity, custom query) do not appear in MOL V2000 file when the structure is saved.
Background
For now, Mol v2000 file is generated on Ketchers' side, where support for some query properties is absent and is represented by
0
in molv2000, despite the property is set.Solution
It is proposed to move Mol v2000 generation/loading on Indigo conditionally – if a structure contains specific query properties, then perform Indigo call and get MolV2000 from Indigo and do not generate it on Ketchers' side.
Acceptance criteria:
MolV2000 is generated on Indigo side if molecule has one of the following properties:
MolV2000 is generated correctly and all the set properties are properly set in MolV2000 (performed by Indigo)
Issues connected with epam/Indigo#1440
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