aggregate commit to BandGraphs utility: myriad changes, fixes, impr…

…ovements, and new functionality

BandGraphs/Project.toml

@@ -10,7 +10,9 @@ Combinatorics = "861a8166-3701-5b0c-9a16-15d98fcdc6aa"
 Crystalline = "ae5e2be0-a263-11e9-351e-f94dad1eb351"
 Graphs = "86223c79-3864-5bf0-83f7-82e725a168b6"
 GraphsMatching = "c3af3a8c-b79e-4b01-bf44-c718d7e0e0d6"
+HiGHS = "87dc4568-4c63-4d18-b0c0-bb2238e4078b"
 JLD2 = "033835bb-8acc-5ee8-8aae-3f567f8a3819"
+JuMP = "4076af6c-e467-56ae-b986-b466b2749572"
 LayeredLayouts = "f4a74d36-062a-4d48-97cd-1356bad1de4e"
 LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
 MetaGraphsNext = "fa8bd995-216d-47f1-8a91-f3b68fbeb377"

BandGraphs/build/connections_2d.jl

@@ -114,6 +114,7 @@ CONNECTIONSD_2D[9] = C2[
     C2(LK2(:Γ, "0, 0"), LK2(:Σ, "2α, 0")), # Γ = [0, 0] ↓ Σ = [2α, 0]
     C2(LK2(:Y, "1, 0"), LK2(:Σ, "2α, 0")), # Y = [1, 0] ↓ Σ = [2α, 0]
     C2(LK2(:S, "1, 2"), LK2(:Ω, "α, β")),  # S = [1, 2] ↓ Ω = [α, β] (manual addition)
+    C2(LK2(:Γ, "0, 0"), LK2(:Ω, "α, β")),  # Γ = [0, 0] ↓ Ω = [α, β] (manual addition)
 ]
 
 # Plane group 10 (p4)
@@ -157,6 +158,7 @@ CONNECTIONSD_2D[14] = C2[
     C2(LK2(:Γ, "0, 0"),     LK2(:Σ, "α, 0")), # Γ = [0, 0]     ↓ Σ = [α, 0]
     C2(LK2(:M, "1/2, 0"),   LK2(:Σ, "α, 0")), # M = [1/2, 0]   ↓ Σ = [α, 0]
     C2(LK2(:K, "1/3, 1/3"), LK2(:Ω, "α, β")), # K = [1/3, 1/3] ↓ Ω = [α, β] (manual addition)
+    C2(LK2(:Γ, "0, 0"),     LK2(:Ω, "α, β")), # Γ = [0, 0]     ↓ Ω = [α, β] (manual addition)
 ]
 
 # Plane group 15 (p31m)
@@ -206,7 +208,7 @@ for sgnum in 1:MAX_SGNUM[2]
     lgirsd = lgirreps(sgnum, Val(2))
     sg = spacegroup(sgnum, Val(2))
     for timereversal in (false, true)
-        timereversal && (lgirsd = Dict(klab => realify(lgirs) for (klab, lgirs) in lgirsd))
+        timereversal && (lgirsd = realify(lgirsd))
         subts = SubductionTable{2}[]
         for c in cs
             push!(subts, SubductionTable(c, sg, lgirsd))

BandGraphs/ext/BandGraphsGraphMakieExt.jl

@@ -23,7 +23,7 @@ import BandGraphs: plot_flattened_bandgraph, make_vertices_dragable! # exported
 ## Unfolding a band graph `g` via `kg_trail`
 function plot_flattened_bandgraph(
             n::SymVector{D},
-            lgirsd::Dict{String, Vector{LGIrrep{D}}};
+            lgirsd::Dict{String, <:AbstractVector{LGIrrep{D}}};
             timereversal=true
             ) where D
     # TODO: take a `SubductionTable` as input?
@@ -66,7 +66,8 @@ function plot_flattened_bandgraph(
     # manifolds (lines/planes, etc)
     if isnothing(xys)
         force_equal_layers = find_equal_maximal_layers(klabs_trail, bandg.partitions)
-        xs, ys, _ = solve_positions(Zarate(), g_trail; force_equal_layers)
+        force_layer = assign_layer_indices(g_trail)
+        xs, ys, _ = solve_positions(Zarate(), g_trail; force_layer, force_equal_layers)
         ys = linearize_nonmaximal_y_coordinates(g_trail, ys)
     else
         xs, ys = xys
@@ -75,6 +76,12 @@ function plot_flattened_bandgraph(
     plot_flattened_bandgraph(g_trail, klabs_trail, xs, ys)
 end
 
+function assign_layer_indices(g_trail)
+    # the x-layer of the vertices should equal the trail index of the vertex
+    vs = vertices(g_trail)
+    return vs .=> [g_trail[label_for(g_trail, i)].trailidx for i in vs]
+end
+
 function plot_flattened_bandgraph(
             g_trail     :: MetaGraph, # ::IsDirected
             klabs_trail :: AbstractVector{<:AbstractString},
@@ -158,6 +165,11 @@ function find_equal_maximal_layers(klabs_trail, partitions)
         # don't need to process k-label if already discovered
         i ∈ seen && continue
 
+        # if this is a transition point between disconnected components (`kidx == -1` which
+        # maps to `klabs_trail[trailidx] = klab = ""`), there's nothing to enforce and we
+        # just go to the next vertex
+        isempty(klab) && continue
+
         # also, check if this is a maximal manifold: if not, continue
         pidx = something(findfirst(p->p.klab == klab, partitions))
         partitions[pidx].maximal || continue
@@ -260,7 +272,12 @@ function make_vertices_dragable_bandgraph!(ax, p, g_trail)
 
         # find related irreps, their vertex indices, and change their y-coordinates as well
         vert_id = label_for(g_trail, idx)[1:2]
-        related_vert_idxs = findall(l->l[1:2]==(vert_id), g_trail.vertex_labels)
+        irlab, irmul = vert_id
+        irlab_normalized = replace(irlab, "′"=>"") # to also move monodromy-related verts
+        related_vert_idxs = findall(g_trail.vertex_labels) do l
+            irlab′, irmul′ = l
+            irlab_normalized == replace(irlab′, "′"=>"") && irmul == irmul′
+        end
         for idx′ in related_vert_idxs
             prev_r′ = p[:node_pos][][idx′]
             p[:node_pos][][idx′] = Makie.Point(prev_r′[1], mouse_r[2])

BandGraphs/src/BandGraphs.jl

@@ -13,6 +13,8 @@ using BlockArrays: BlockArray, Block # for `assemble_adjacency`
 # EXPORTS
 
 export
+    Connection,
+    SubductionTable,
     SymVector,
     Partition,
     SubGraph,
@@ -28,43 +30,76 @@ export
     split_nonmaximal_nodes,
     permute_subgraphs,
     subduction_tables,
-    plot_flattened_bandgraph
+    plot_flattened_bandgraph,
+    findall_separable_vertices
 
 # ---------------------------------------------------------------------------------------- #
 
 # TODO: improve sharing of types between `BandGraphs` & `build/crawl_and_write_bandpaths.jl`
 include("subduction-types.jl")
+include("subduction-table.jl")
 
 # ---------------------------------------------------------------------------------------- #
 # DATA
 
-const SUBDUCTIONSD_TR = Dict{Int, Vector{SubductionTable{3}}}() # `timereversal = true`
-const SUBDUCTIONSD = Dict{Int, Vector{SubductionTable{3}}}()    # `timereversal = false`
+const SUBDUCTIONSD_TR_3D = Dict{Int, Vector{SubductionTable{3}}}() # `timereversal = true`
+const SUBDUCTIONSD_3D = Dict{Int, Vector{SubductionTable{3}}}()    # `timereversal = false`
+const SUBDUCTIONSD_TR_2D = Dict{Int, Vector{SubductionTable{2}}}() # `timereversal = true`
+const SUBDUCTIONSD_2D = Dict{Int, Vector{SubductionTable{2}}}()    # `timereversal = false`
 function __init__()
     # TODO: Fix the awfulness here: the loading below only works if the dataset is created
     #       with the types from BandGraphs first - not a good circular thing to have...
     datapath = joinpath(dirname(@__DIR__), "data/connections/3d/subductions-tr.jld2")
     JLD2.jldopen(datapath, "r") do jldfile
         for (k,v) in jldfile["subductionsd"]
-            SUBDUCTIONSD_TR[k] = v
+            SUBDUCTIONSD_TR_3D[k] = v
         end
     end
     datapath = joinpath(dirname(@__DIR__), "data/connections/3d/subductions.jld2")
     JLD2.jldopen(datapath, "r") do jldfile
         for (k,v) in jldfile["subductionsd"]
-            SUBDUCTIONSD[k] = v
+            SUBDUCTIONSD_3D[k] = v
+        end
+    end
+    datapath = joinpath(dirname(@__DIR__), "data/connections/2d/subductions-tr.jld2")
+    JLD2.jldopen(datapath, "r") do jldfile
+        for (k,v) in jldfile["subductionsd"]
+            SUBDUCTIONSD_TR_2D[k] = v
+        end
+    end
+    datapath = joinpath(dirname(@__DIR__), "data/connections/2d/subductions.jld2")
+    JLD2.jldopen(datapath, "r") do jldfile
+        for (k,v) in jldfile["subductionsd"]
+            SUBDUCTIONSD_2D[k] = v
         end
     end
 end
 
 """
-    subduction_tables(sgnum; timereversal=true)  --> Vector{SubductionTable{3}}
+    subduction_tables(sgnum, ::Val{D}; timereversal=true)  --> Vector{SubductionTable{D}}
 
 Return a vector of `SubductionTable`s from stored tabulations, with (`timereversal = true`)
 or without (`timereversal = false`) time-reversal symmetry in space group `sgnum`.
 """
-function subduction_tables(sgnum; timereversal::Bool=true)
-    (timereversal ? SUBDUCTIONSD_TR[sgnum] : SUBDUCTIONSD[sgnum])::Vector{SubductionTable{3}}
+function subduction_tables(sgnum::Integer, ::Val{D}=Val(3); timereversal::Bool=true) where D
+    if D == 3
+        if timereversal
+            return SUBDUCTIONSD_TR_3D[sgnum]::Vector{SubductionTable{3}}
+        else
+            return SUBDUCTIONSD_3D[sgnum]::Vector{SubductionTable{3}}
+        end
+    elseif D == 2
+        if timereversal
+            return SUBDUCTIONSD_TR_2D[sgnum]::Vector{SubductionTable{2}}
+        else
+            return SUBDUCTIONSD_2D[sgnum]::Vector{SubductionTable{2}}
+        end
+    else
+        throw(DomainError(D, "dimension must be 1, 2, or 3"))
+    end
+end
+function subduction_tables(sgnum::Integer, D::Integer; timereversal::Bool=true)
+    return subduction_tables(sgnum, Val(D); timereversal)
 end
 
 # ---------------------------------------------------------------------------------------- #
@@ -76,6 +111,9 @@ include("graphs.jl")
 include("subgraph-permutations.jl")
 include("graph_routing.jl")
 include("unfold.jl")
+include("complete-split.jl")
+include("subsetsum.jl")
+include("separable.jl")
 
 # ---------------------------------------------------------------------------------------- #
 # EXTENSIONS: loaded via Requires.jl on Julia versions <v1.9; otherwise via the Pkg