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Update doi to voronota-lt
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mlund committed Apr 11, 2024
1 parent c9b70b6 commit d709efe
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2 changes: 1 addition & 1 deletion docs/_docs/analysis.md
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Expand Up @@ -367,7 +367,7 @@ is filed to disk, `sasa_histogram.dat`.
### Voronoi Tessellation (experimental)

Performs Voronoi tessellation to detect contacts and surface areas using
the [Voronota-LT library](https://doi.org/10/gpfkwh).
the [Voronota-LT library](https://doi.org/10/mq8k).
Only the total surface is currently reported, but more is planned for future
releases.
The algorithm is significantly faster than the above `sasa` analysis.
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2 changes: 1 addition & 1 deletion examples/sasa/sasa.out.json
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Expand Up @@ -16,7 +16,7 @@
"voronota": {
"nstep": 1,
"radius": 2.0,
"reference": "doi:10.1093/bioinformatics/btab448",
"reference": "doi:10/mq8k",
"samples": 1,
"⟨SASA²⟩-⟨SASA⟩²": 0.0,
"⟨SASA⟩": 2186.5484868984963
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4 changes: 2 additions & 2 deletions src/voronota.cpp
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Expand Up @@ -8,7 +8,7 @@ namespace Faunus::analysis {
Voronota::Voronota(double probe_radius, const Faunus::Space& spc)
: Analysis(spc, "voronota")
, probe_radius(probe_radius) {
cite = "doi:10.1093/bioinformatics/btab448";
cite = "doi:10/mq8k";
if (spc.geometry.asSimpleGeometry()->boundary_conditions.isPeriodic().count() != 0) {
faunus_logger->warn("PBC is currently ignored by the `voronoi` analysis - be careful!");
}
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}
}

} // namespace Faunus::analysis
} // namespace Faunus::analysis

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