feat: Introduce DoubleKeyedMap for more generalised storage of pair-related data - #2214

Merged

trisyoungs merged 18 commits into

dissolve2/no-atomtype-pointersfrom

dissolve2/double-keyed-map

Aug 15, 2025

Commits on Jul 31, 2025

Add DoubleKeyedMap.
trisyoungs
committed
53f5830
Just string keying.
trisyoungs
committed
77fdd65
Revamp PartialSet, break lots of stuff.
trisyoungs
committed
6235c4c
Refactor HistogramSet to use DoubleKeyedMap.
trisyoungs
committed
e72231d

Commits on Aug 4, 2025

Mostly complete with PartialSet stuff now.
trisyoungs
committed
c802e93
Formatting.
trisyoungs
committed
36a0503
Adding LUT stuff.
trisyoungs
committed
ff94f7a

Commits on Aug 5, 2025

Dynamic atom type indexing.
Tristan Youngs
committed
c877cd3
Add range-based for_each.
Tristan Youngs
committed
1263655
Tidy includes.
Tristan Youngs
committed
5d856f9

Commits on Aug 6, 2025

Getting there.
Tristan Youngs
committed
2d70433

Commits on Aug 11, 2025

Little tidy.
trisyoungs
committed
172b12f
Rename configuration contents version and add flag for type indices, finish refactoring with LUTs.
trisyoungs
committed
301e64b
Fix PartialSetAccumulator.
trisyoungs
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36707ee
Fix / update data manager test.
trisyoungs
committed
c46b040
Remove unused emptyBoundPartials_ map.
trisyoungs
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5ae900c
Store configuration species populations in a KeyedVector.
trisyoungs
committed
08ac2ea

Commits on Aug 15, 2025

refactor: Remove Configuration AtomTypeMix (#2220)

trisyoungs
and
Tristan Youngs
authored
0c5da07