Disable printing for cells with negative vectors (#82)

* Disable printing for cells with negative vectors

* Bump version

* Documenter update

* up

Project.toml

@@ -1,7 +1,7 @@
 name = "AtomsBase"
 uuid = "a963bdd2-2df7-4f54-a1ee-49d51e6be12a"
 authors = ["JuliaMolSim community"]
-version = "0.3.4"
+version = "0.3.5"
 
 [deps]
 LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"

docs/make.jl

@@ -6,7 +6,6 @@ DocMeta.setdocmeta!(AtomsBase, :DocTestSetup, :(using AtomsBase); recursive=true
 makedocs(;
     modules=[AtomsBase],
     authors="JuliaMolSim community",
-    repo="https://github.com/JuliaMolSim/AtomsBase.jl/blob/{commit}{path}#{line}",
     sitename="AtomsBase.jl",
     format=Documenter.HTML(;
         prettyurls=get(ENV, "CI", "false") == "true",
@@ -22,7 +21,6 @@ makedocs(;
         "apireference.md"
     ],
     checkdocs=:exports,
-    strict=true,
 )
 
 deploydocs(;

src/visualize_ascii.jl

@@ -16,11 +16,11 @@ function visualize_ascii(system::AbstractSystem{D}) where {D}
     cell  = austrip.(reduce(hcat, bounding_box(system)))
     box   = Vector(diag(cell))
     shift = zero(box)
+    plot_box = D > 1
 
     is_right_handed = det(cell) > 0
     is_right_handed || return ""
 
-    plot_box = D > 1
     is_orthorhombic = isdiag(cell)
     if !is_orthorhombic
         # Build an orthorhombic cell inscribing the actual unit cell
@@ -34,6 +34,9 @@ function visualize_ascii(system::AbstractSystem{D}) where {D}
         plot_box = false
     end
 
+    # If one of the box coordinates is negative 
+    any(box .≤ 0) && return ""
+
     # Normalise positions
     normpos = [@. box * mod((shift + austrip(p)) / box, 1.0)
                for p in position(system)]

test/printing.jl

@@ -24,15 +24,27 @@ using Test
 end
 
 @testset "Test ASCII representation of structures" begin
-    atoms = [:Si => [0.0, -0.125, 0.0],
-             :C  => [0.125, 0.0, 0.0]]
-    box = [[10, 0.0, 0.0], [0.0, 5, 0.0], [0.0, 0.0, 7]]u"Å"
-    system = periodic_system(atoms, box; fractional=true)
-    println(visualize_ascii(system))
+    @testset "3D standard system" begin
+        atoms = [:Si => [0.0, -0.125, 0.0],
+                 :C  => [0.125, 0.0, 0.0]]
+        box = [[10, 0.0, 0.0], [0.0, 5, 0.0], [0.0, 0.0, 7]]u"Å"
+        system = periodic_system(atoms, box; fractional=true)
+        println(visualize_ascii(system))
+    end
+
+    @testset "2D standard system" begin
+        atoms = [:Si => [0.0, -0.125],
+                 :C  => [0.125, 0.0]]
+        box = [[10, 0.0], [0.0, 5]]u"Å"
+        system = periodic_system(atoms, box; fractional=true)
+        println(visualize_ascii(system))
+    end
 
-    atoms = [:Si => [0.0, -0.125],
-             :C  => [0.125, 0.0]]
-    box = [[10, 0.0], [0.0, 5]]u"Å"
-    system = periodic_system(atoms, box; fractional=true)
-    println(visualize_ascii(system))
+    @testset "3D with negative unit cell" begin
+        atoms = [:Si => [0.75, 0.75, 0.75],
+                 :Si => [0.0,  0.0,  0.0]]
+        box = [[-2.73, -2.73, 0.0], [-2.73, 0.0, -2.73], [0.0, -2.73, -2.73]]u"Å"
+        system = periodic_system(atoms, box; fractional=true)
+        println(visualize_ascii(system))
+    end
 end