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Expand node attribute types for graph-tool #64

Merged
merged 8 commits into from
Jan 28, 2022
Merged

Expand node attribute types for graph-tool #64

merged 8 commits into from
Jan 28, 2022

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RMeli
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@RMeli RMeli commented Jan 27, 2022 •
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Description

Fix #63. Add support for more types as node properties (including strings) with graph-tool. This allows to perform node matching using not only atomic numbers but also elements, atom types, ..., which is already the case for networkx.

TODO:

  • Change signature from atomicnums to atomprops (or similar)

Checklist

  • Tests
  • Changelog

@RMeli RMeli self-assigned this Jan 27, 2022
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codecov bot commented Jan 27, 2022 •
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Codecov Report

Merging #64 (de7b0d7) into develop (9be79d7) will increase coverage by 0.00%.
The diff coverage is 100.00%.

@RMeli RMeli changed the title Node features gt Expand node attribute types for graph-tool Jan 28, 2022
@RMeli RMeli merged commit 2d2a6cd into develop Jan 28, 2022
@RMeli RMeli deleted the node-features-gt branch January 28, 2022 22:57
@RMeli RMeli mentioned this pull request Feb 23, 2022
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@RMeli RMeli mentioned this pull request Feb 2, 2024
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Expand node attributes beyond atomic numbers for graph-tool
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