fix same_residue when only segname differs

m3g · Nov 29, 2024 · 95ce601 · 95ce601
1 parent 1328b38
commit 95ce601
Showing 1 changed file with 7 additions and 1 deletion.
diff --git a/src/Atom.jl b/src/Atom.jl
@@ -386,14 +386,20 @@ function same_residue(atom1::Atom, atom2::Atom)
     return (atom1.resnum == atom2.resnum) & 
            (atom1.model == atom2.model) &
            (atom1.chain == atom2.chain) &
-           (atom1.resname == atom2.resname)
+           (atom1.resname == atom2.resname) &
+           (atom1.segname == atom2.segname)
 end
 
 @testitem "same_residue" begin
     pdb = read_pdb(PDBTools.TESTPDB, "protein")
     import PDBTools: same_residue
     @test same_residue(pdb[1], pdb[2])
     @test !same_residue(pdb[1], pdb[50])
+    at1 = Atom()
+    at2 = Atom()
+    @test same_residue(at1, at2)
+    at2.segname = "B"
+    @test !same_residue(at1, at2)
 end
 
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