openchemlib-utils - npm Package Versions

5.0.1 (2023-08-18)

Bug Fixes

• formatting (21e2912)

5.0.0 (2023-08-17)

⚠ BREAKING CHANGES

• remove non significant digits

Bug Fixes

• prettier format (eefbc64)
• remove non significant digits (3136a95)

4.4.0 (2023-08-17)

Features

• groupTreesByProducts (828c02d)

4.3.2 (2023-08-17)

Documentation

• correctly build documentation from index.js (bdc0721)

4.3.0 (2023-08-16)

Features

• add getImplicityHydrogensCount and toggleHydrogens (33ded8d)
• Create TopicMolecule a class optimised for hoses codes and diastereotopic IDs (633d618)
• Create TopicMolecule a class optimised for hoses codes and diastereotopic IDs (633d618)

4.2.1 (2023-08-09)

Bug Fixes

• return correctly diaIDs=undefined in getHoseCodesAndInfo=false (4328552)

4.2.0 (2023-08-08)

Features

• add distanceMatrix in getHoseCodesAndInfo (9351a59)

4.1.0 (2023-08-06)

Features

• getHoseCodesAndInfo returns moleculeWithHydrogens (f9ff5bd)

4.0.0 (2023-08-06)

⚠ BREAKING CHANGES

• replace getHosesAndInfoFromMolfile and getHoseCodesAndDiastereotopicIDs by getHoseCodesAndInfo

Features

• replace getHosesAndInfoFromMolfile and getHoseCodesAndDiastereotopicIDs by getHoseCodesAndInfo (a3bc686)

3.1.0 (2023-08-02)

Features

• add method getHosesAndInfoFromMolfile (3d5a25a)

Bug Fixes

• getHoseCodes shares code with getHoseCodesForAtoms (e037133)
• nodejs workflow (18532b0)
• recalculate helper after makeRacemic (3cf35a8)