Indigo 1.6.1¶
28 Dec 2021
Features¶
PoC implementation of Indigo modern C++ user API written on top of low-level C API. Later it will be used in Indigo-WASM and probably other languages.
New Indigo service added as preview. Modernized Indigo service implements JSON:API protocol and can be installed as Docker image
epmlsop/indigo-service:enhanced-latest
.Indigo API ported to ARM64 processor architecture. Python, Java and C# wrappers now contain required native libraries for macOS (Apple M1) and Linux.
Implemented loader for CDXML format.
Dative and hydrogen bonds are now supported.
Implemented partial aromatization/dearomatization for the structures with superatoms.
Multifragment support for KET-format.
Simple objects support for KET-format.
Atom’s aliases and functional groups’ attributes support for KET-format.
Indigo-Python: initial version of inorganic salt checker added.
Improvements¶
Bingo-NoSQL major refactoring with significant multithreading performance improvements.
C++ unittests were separated in API and Core parts.
CMake build system by default tries to enable as many components as possible and warns if building something is not possible on the current platform.
Migrated to modern C++ standard mutexes and locks instead of own-written implementation.
Using thread-safe objects in Indigo API instead of raw mutexes to guarantee thread safety.
C++ code modernization: added ‘override’, replaced plain C functions with corresponding from std, etc.
Indigo API integration tests engine parallelized.
Indigo WASM API for Ketcher reached stable status and is now published to NPM public repository.
Indigo i386 libraries for Windows prepared.
CI/CD: automatic code style checks and linters added for Python and C++ code.
Bugfixes¶
Fixed multiple data races in API and especially in Bingo-NoSQL (#476).
InChI library bugfix for empty string support
Multiple small bugfixes in Indigo-Ketcher WASM module and Indigo Service.
Bingo-Elastic-Java: updated all dependencies to fix log4j security issue.
Fixed an occasional error in RPE.
Bingo-NoSQL: fixed
enumerateId()
in Java.