v2.4.0

2.4.0 (2023-02-13)

Features

• getAtomFeatures allows to specify sphere (43068ae)

Bug Fixes

• applyReaction should not return oclReaction internal object (10dadc7)

v2.3.0

2.3.0 (2023-01-25)

⚠ BREAKING CHANGES

• Remove compatibility with node 14

Features

• add parseDwar, parser for DataWarrior files (107b4f3)
• improve applyReactions to have maxDepth (217db99)

Miscellaneous Chores

• Remove compatibility with node 14 (1635eeb)

release-as

• 2.3.0 (81004d4)

v2.2.0

2.2.0 (2023-01-17)

Features

• crease searchAsync (#49) (7800d90)

Documentation

• add OCL types (7892125)

v2.1.3

2.1.3 (2022-12-15)

Bug Fixes

• update dependencies (1ca9c69)

Documentation

• improve jsDoc (7c80d68)

v2.1.2

2.1.2 (2022-11-28)

Bug Fixes

• split groupedDiastereotopicAtomIDs (#42) (8e1ee5a)

v2.1.1

2.1.1 (2022-11-23)

Bug Fixes

• getConnectivityMatrix with pathLength (#44) (0363399)

v2.1.0

2.1.0 (2022-11-14)

Features

• add getDiastereotopicAtomIDsFromMolfile (05950e9)
• getDiastereotopicAtomIDsFromMolfile (1bc20c8)

Documentation

• add example of substructure search in wikipedia (c4d27e9)
• add one jsdoc (5a1226b)

v2.0.0

2.0.0 (2022-08-15)

⚠ BREAKING CHANGES

• update OpenChemLib to v8.0.0
• remove deprecated function getExtendedDiastereotopicAtomIDs

Features

• null query returns the full DB (4279051)
• update OpenChemLib to v8.0.0 (09c88c4)

Miscellaneous Chores

• remove deprecated function getExtendedDiastereotopicAtomIDs (09c88c4)

openchemlib-utils v1.11.0

Features

• add getAtomFeatures (9ecde24)

openchemlib-utils v1.10.0

Features

• add getPathAndTorsion (8c587c8)
• add options withHOSES (defualt false) to getPathsInfo (1af6b9e)