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@trisyoungs trisyoungs commented Sep 29, 2025

This PR implements serialisation of restart file data for the current complement of nodes, building off #2203.

TODO

  • Reading in a serialisable based on std::optional needs to emplace the data first.
  • Template args to is_instance_of<> are reversed c.f. comparable stdlib functions Moved to Refactor is_instance_of_v #2260
  • DoubleKeyedMap serialisation test
  • Histogram1D serialisation test (inc longs for bin counts)
  • SampledDouble, SampledVector, and SampledData1D serialisation tests.
  • History serialisation test, especially with custom initialiser function.
  • Move simple test functions out of DissolveSystemTest Moved to Dissolve2Do

@trisyoungs trisyoungs force-pushed the dissolve2/node-data-serialisation branch from ebffb7b to b287bfe Compare October 1, 2025 14:05
@trisyoungs trisyoungs mentioned this pull request Oct 6, 2025
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@trisyoungs trisyoungs force-pushed the dissolve2/node-data-serialisation branch from 992b551 to 068dc51 Compare October 6, 2025 09:51
@trisyoungs trisyoungs changed the base branch from develop to develop2 October 6, 2025 10:44
@trisyoungs trisyoungs force-pushed the dissolve2/node-data-serialisation branch from 068dc51 to 5876239 Compare October 6, 2025 11:27
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⚠️ Performance Alert ⚠️

Possible performance regression was detected for benchmark.
Benchmark result of this commit is worse than the previous benchmark result exceeding threshold 2.

Benchmark suite Current: 93eb6c9 Previous: fe432fc Ratio
BM_Box_MinimumImage<CubicBox> 46.67427107273266 ns/iter 14.720236046648049 ns/iter 3.17
BM_Box_MinimumVector<CubicBox> 31.69142482181134 ns/iter 10.805559247637298 ns/iter 2.93
BM_Box_MinimumImage<OrthorhombicBox> 43.04734980470494 ns/iter 16.09258159686038 ns/iter 2.67
BM_Box_MinimumVector<OrthorhombicBox> 29.531711220758062 ns/iter 10.720444593028015 ns/iter 2.75
BM_Box_MinimumImage<MonoclinicAlphaBox> 34.5154789667622 ns/iter 11.894333076758135 ns/iter 2.90
BM_Box_MinimumVector<MonoclinicAlphaBox> 22.076089200374213 ns/iter 8.047862156503925 ns/iter 2.74
BM_Box_MinimumImage<TriclinicBox> 37.90982969156062 ns/iter 16.352504316387808 ns/iter 2.32
BM_Box_MinimumVector<TriclinicBox> 24.073042888658648 ns/iter 11.175347426982341 ns/iter 2.15

This comment was automatically generated by workflow using github-action-benchmark.

CC: @disorderedmaterials/dissolve-devs

@trisyoungs trisyoungs force-pushed the dissolve2/node-data-serialisation branch 3 times, most recently from 1f4d938 to 310939a Compare October 14, 2025 10:02
@trisyoungs trisyoungs force-pushed the dissolve2/node-data-serialisation branch from 01d38d9 to 0a3c8c5 Compare October 15, 2025 14:26
@trisyoungs trisyoungs force-pushed the dissolve2/node-data-serialisation branch from 0a3c8c5 to a904d94 Compare October 15, 2025 15:59
@trisyoungs trisyoungs marked this pull request as ready for review October 15, 2025 16:01
@trisyoungs trisyoungs marked this pull request as draft October 15, 2025 16:02
@trisyoungs trisyoungs changed the base branch from develop2 to dissolve2/class-serialisers October 15, 2025 16:02
@trisyoungs trisyoungs force-pushed the dissolve2/node-data-serialisation branch from a904d94 to 9a60a3f Compare October 15, 2025 16:04
Base automatically changed from dissolve2/class-serialisers to develop2 October 16, 2025 11:58
@trisyoungs trisyoungs force-pushed the dissolve2/node-data-serialisation branch from 9a60a3f to 91c8cd1 Compare October 16, 2025 11:59
@trisyoungs trisyoungs marked this pull request as ready for review October 16, 2025 12:40
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One minor suggestion, but things otherwise look good.

@trisyoungs trisyoungs merged commit 486d246 into develop2 Oct 31, 2025
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@trisyoungs trisyoungs deleted the dissolve2/node-data-serialisation branch October 31, 2025 11:32
rprospero pushed a commit that referenced this pull request Feb 4, 2026
Co-authored-by: Tristan Youngs <trisyoungs@googlemail.com>
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2 participants