Add warning if PBC cell is used

mlund · Apr 11, 2024 · c9b70b6 · c9b70b6
1 parent ad25690
commit c9b70b6
Showing 1 changed file with 3 additions and 0 deletions.
diff --git a/src/voronota.cpp b/src/voronota.cpp
@@ -9,6 +9,9 @@ Voronota::Voronota(double probe_radius, const Faunus::Space& spc)
     : Analysis(spc, "voronota")
     , probe_radius(probe_radius) {
     cite = "doi:10.1093/bioinformatics/btab448";
+    if (spc.geometry.asSimpleGeometry()->boundary_conditions.isPeriodic().count() != 0) {
+        faunus_logger->warn("PBC is currently ignored by the `voronoi` analysis - be careful!");
+    }
 }
 
 Voronota::Voronota(const Faunus::json& input, const Faunus::Space& spc)