Tags: amadeusine/MolecularGraph.jl
Tags
[Diff since v0.9.0](mojaie/MolecularGraph.jl@v0.9.0...v0.10.0) **Closed issues:** - No charge on carbon chain SVG (mojaie#25) - Gaps in allene-like double bonds (mojaie#26) - outerplanarity test failure on Julia 1.6 (mojaie#44) - Re-design of MCS calculation functions (mojaie#57) **Merged pull requests:** - Generalize exception type (mojaie#59) (@timholy)
[Diff since v0.8.0](mojaie/MolecularGraph.jl@v0.8.0...v0.9.0) **Closed issues:** - Tidy up structure matching functions (mojaie#33) - Monomorphism mapping algorithm and its performance (mojaie#48) - New release? (mojaie#51) - Parse % symbols for ring closures in SMILES (mojaie#56) **Merged pull requests:** - MassInstallAction: Install the TagBot workflow on this repository (mojaie#53) (@mojaie) - MassInstallAction: Install the Documenter workflow on this repository (mojaie#54) (@mojaie)
## MolecularGraph v0.8.0 [Diff since v0.7.1](mojaie/MolecularGraph.jl@v0.7.1...v0.8.0) **Closed issues:** - Duplicate detection in functional groups (mojaie#31) - sdfilewriter should be closed (mojaie#35) - Add a few more topics? (mojaie#36) - Format of return from `edgesubgraphmatches`? (mojaie#39) - Bridges depend on starting node (mojaie#42) - Any interest in 3d display? (mojaie#46) **Merged pull requests:** - modified sdfilewriter to use filename (mojaie#32) (@richardskim111) - Support multiline attributes (mojaie#37) (@timholy) - Activate CI (mojaie#38) (@timholy) - Make subgraph operations more generic (mojaie#40) (@timholy) - Add outer constructors for "state" types (mojaie#41) (@timholy) - Don't specialize connectedcomponents for subgraphs (mojaie#43) (@timholy) - Add substructure 1:1 node matching (mojaie#45) (@timholy) - Add covalent radii and 3d drawing utilities (mojaie#47) (@timholy)
See https://github.com/mojaie/MolecularGraph.jl/releases/tag/v0.3.1 f… …or release notes
PreviousNext