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JonasSchaub / SugarRemoval Public

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SugarDetectionUtility integration and re-work of input file type detection (enhanced SMILES file parsing)#16

Merged

JonasSchaub merged 4 commits intoproductionJonasSchaub/SugarRemoval:productionfrom

sdu-integrationJonasSchaub/SugarRemoval:sdu-integrationCopy head branch name to clipboard

Oct 1, 2025

Conversation Commits4 (4)Checks Files changed

Merged

SugarDetectionUtility integration and re-work of input file type detection (enhanced SMILES file parsing)#16
JonasSchaub merged 4 commits intoproductionfrom
sdu-integration

Commits

Commits on Sep 30, 2025

updates CDK to 2.12-SNAPSHOT and updates the SRU test class to check integrity
JonasSchaub
committed
adds SugarDetectionUtilityTest for integrity test, a bit of reordering, and starting to add the MORTAR DynamicSMILESFileReader
JonasSchaub
committed
implements format matcher and reader for the DynamicSMILESFileReader, so that it can be used in the CMD app
JonasSchaub
committed

Commits on Oct 1, 2025

updated version numbers to 1.6; finished SugarDetectionUtility integration in CMD app; updated doc; switched CMD app input file format detection to purely file extension-based
JonasSchaub
committed

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