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Use GetUniqueCombinations_new instead of GetUniqueCombinations (rdkit…

bertiewoosterpushed 17 commits to master • 6867286…103b22d • 
on Feb 6

Deleted branch

bertiewoosterdeleted GetUniqueCombinations_new • 
on Feb 6

Replace call to GetUniqueCombinations_new with GetUniqueCombinations …

bertiewoosterpushed 1 commit to GetUniqueCombinations_new • bc6b07c…85015f4 • 
on Jan 28

Create _compareCombinationsOrderUnimportant and use for testGetUnique…

bertiewoosterpushed 1 commit to GetUniqueCombinations_new • f1a58ed…bc6b07c • 
on Jan 28

Update tests for GetUniqueCombinations to be in numerical order. Remo…

bertiewoosterpushed 1 commit to GetUniqueCombinations_new • 9ab869f…f1a58ed • 
on Jan 28

Remove unused and uncalled parameter which

bertiewoosterpushed 1 commit to GetUniqueCombinations_new • 2ccef13…9ab869f • 
on Jan 26

Remove GetUniqueCombinations, use instead GetUniqueCombinations_new f…

bertiewoostercreated GetUniqueCombinations_new • 2ccef13 • 
on Jan 26

improve handling of esters, amides, etc. in the v2 tautomer hash (rdk…

bertiewoosterpushed 26 commits to master • bebd2eb…6867286 • 
on Jan 26

Explain how to run doctests locally

bertiewoostercreated docs/run_doctests_locally • 235d438 • 
on Dec 22, 2024

Fix for removing bad stereo indications from Atropisomer parsing (rdk…

bertiewoosterpushed 4 commits to master • 5ab780d…bebd2eb • 
on Dec 22, 2024

Deleted branch

bertiewoosterdeleted docs/get_atoms_matching_query • 
on Dec 21, 2024

Print out hybridization create doctests

bertiewoosterpushed 1 commit to docs/cookbook_sanitization • 8a78251…926b773 • 
on Dec 21, 2024

wording change

bertiewoosterpushed 1 commit to docs/get_atoms_matching_query • 586f4f8…c6f7fec • 
on Dec 21, 2024

Deleted branch

bertiewoosterdeleted docs/build_docs_locally • 
on Dec 21, 2024

For GetAtomsMatchingQuery, note that "Atom query options are given in…

bertiewoostercreated docs/get_atoms_matching_query • 586f4f8 • 
on Dec 21, 2024

Correct rdqueries import, and formatting of testoutput blocks

bertiewoosterpushed 1 commit to docs/cookbook_sanitization • 8810e26…8a78251 • 
on Dec 21, 2024

Update label to *Original* Source

bertiewoosterpushed 1 commit to docs/cookbook_sanitization • 4e0acda…8810e26 • 
on Dec 21, 2024

Fix typo in formatting

bertiewoosterpushed 1 commit to docs/cookbook_sanitization • 1cd2a2f…4e0acda • 
on Dec 21, 2024

Format argument=value

bertiewoosterpushed 1 commit to docs/cookbook_sanitization • 1b9d207…1cd2a2f • 
on Dec 21, 2024

Expand on Explicit Valence Error - Partial Sanitization recipe, inclu…

bertiewoostercreated docs/cookbook_sanitization • 1b9d207 • 
on Dec 21, 2024

Add section How to Build RDKit Documentation Locally (rdkit#8120)

bertiewoosterpushed 3 commits to master • e77d4e3…5ab780d • 
on Dec 20, 2024

Add section How to Build RDKit Documentation Locally

bertiewoostercreated docs/build_docs_locally • 03010ff • 
on Dec 19, 2024

allow specified chiral features to SSS match unspecified features (rd…

bertiewoosterpushed 78 commits to master • f29dd30…e77d4e3 • 
on Dec 19, 2024

Add to Cookbook "Include a Bond Index" recipe and image (rdkit#7939)

bertiewoosterpushed 2 commits to master • cf29f08…f29dd30 • 
on Oct 22, 2024

Deleted branch

bertiewoosterdeleted cookbook-bond-index • 
on Oct 22, 2024

Use addBondIndices. Follow template of recipe "Include an Atom Index".

bertiewoosterpushed 1 commit to cookbook-bond-index • 9b39b09…5c307c0 • 
on Oct 21, 2024

Documentation updates (rdkit#7933)

bertiewoosterpushed 2 commits to master • 077493b…cf29f08 • 
on Oct 20, 2024

Add testoutput so doctest passes

bertiewoosterpushed 1 commit to cookbook-bond-index • 37a0935…9b39b09 • 
on Oct 19, 2024

Add "Include a Bond Index" recipe and image

bertiewoostercreated cookbook-bond-index • 37a0935 • 
on Oct 19, 2024

Fixes rdkit#7929 (rdkit#7930)

bertiewoosterpushed 137 commits to master • 0edde32…077493b • 
on Oct 19, 2024