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#1040 SMILES/SMARTS import: Files with S-Group cause an error #1201

Merged
merged 7 commits into from
Jul 31, 2023
Merged

#1040 SMILES/SMARTS import: Files with S-Group cause an error #1201

merged 7 commits into from
Jul 31, 2023

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AliaksandrDziarkach
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Implemented import support for Data S-Groups.
Implemented import support for all fields for Polymer S-Groups.
Implemented export support for Data S-Groups.
Implemented export support for all fields for Polymer S-Groups.
Implemented corresponding UTs into indigo-core-unit-tests.
Fix integration UTs.

  Implemented import support for Data S-Groups.
  Implemented import support for all fields for Polymer S-Groups.
  Implemented corresponding UTs into indigo-core-unit-tests.
 Implemented export support for Data S-Groups.
 Implemented export support for all fields for Polymer S-Groups.
 Implemented corresponding UTs into indigo-core-unit-tests.
 Fix integration UTs
 Small fixes in smiles_loader.cpp
 Implemented corresponding UTs into indigo-core-unit-tests.
 fix UT for issue 1200 UT.
core/indigo-core/molecule/src/smiles_loader.cpp Outdated Show resolved Hide resolved
core/indigo-core/molecule/src/smiles_loader.cpp Outdated Show resolved Hide resolved
core/indigo-core/molecule/src/smiles_loader.cpp Outdated Show resolved Hide resolved
core/indigo-core/molecule/src/smiles_loader.cpp Outdated Show resolved Hide resolved
core/indigo-core/molecule/src/smiles_loader.cpp Outdated Show resolved Hide resolved
 Added constants instead of literal in smiles_loader.cpp
@even1024 even1024 removed the request for review from AlexanderSavelyev July 31, 2023 13:25
@even1024 even1024 merged commit 6c98a22 into epam:master Jul 31, 2023
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@AliaksandrDziarkach AliaksandrDziarkach deleted the smiles-data-s-groups-support branch August 1, 2023 09:13
@even1024 even1024 linked an issue Aug 1, 2023 that may be closed by this pull request
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SMILES/SMARTS import: Files with S-Group Properties cause an error
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