Add PlotlyJS extension for crystal structure

.pre-commit-config.yaml

@@ -1,11 +1,11 @@
 repos:
   - repo: https://github.com/Lucas-C/pre-commit-hooks
-    rev: v1.2.0
+    rev: v1.5.4
     hooks:
       - id: forbid-crlf
       - id: remove-crlf
   - repo: https://github.com/pre-commit/pre-commit-hooks
-    rev: v4.3.0
+    rev: v4.5.0
     hooks:
       - id: check-added-large-files
         args: ['--maxkb=5120']  # 5MB

ext/WannierPlotlyJSExt/WannierPlotlyJSExt.jl

@@ -0,0 +1,12 @@
+module WannierPlotlyJSExt
+using DocStringExtensions
+using Wannier
+using PlotlyJS
+using LinearAlgebra
+using Printf: @sprintf
+
+include("band.jl")
+include("crystal.jl")
+include("dos.jl")
+
+end

ext/WannierPlotlyJSExt.jl → ext/WannierPlotlyJSExt/band.jl

@@ -1,8 +1,4 @@
-module WannierPlotlyJSExt
-using DocStringExtensions
 using Brillouin: KPathInterpolant
-using Wannier
-using PlotlyJS
 
 """
     $(SIGNATURES)
@@ -61,7 +57,7 @@ Return a PlotlyJS `Plot` struct for the band structure.
     For a full customization, directly manipulate the returned `Plot` struct.
     See [PlotlyJS documentation](http://juliaplots.org/PlotlyJS.jl/stable/syncplots/).
 """
-function get_band_plot(
+function Wannier.get_band_plot(
     x::AbstractVector{<:Real},
     eigenvalues::AbstractVector;
     fermi_energy::Union{Nothing,Real}=nothing,
@@ -183,10 +179,14 @@ function get_band_plot(
     return Plot(traces, layout)
 end
 
-function get_band_plot(kpi::KPathInterpolant, eigenvalues::AbstractVector; kwargs...)
+function Wannier.get_band_plot(
+    kpi::KPathInterpolant, eigenvalues::AbstractVector; kwargs...
+)
     x = Wannier.get_linear_path(kpi)
     symm_point_indices, symm_point_labels = Wannier.get_symm_point_indices_labels(kpi)
-    return get_band_plot(x, eigenvalues; symm_point_indices, symm_point_labels, kwargs...)
+    return Wannier.get_band_plot(
+        x, eigenvalues; symm_point_indices, symm_point_labels, kwargs...
+    )
 end
 
 """
@@ -202,13 +202,25 @@ Plot band structure.
     length-`n_bands` vector
 
 # Keyword Arguments
-See also the keyword arguments of [`get_band_plot`](@ref).
+See also the keyword arguments of [`Wannier.get_band_plot`](@ref).
 """
 function Wannier.plot_band(k, eigenvalues::AbstractVector; kwargs...)
-    P = get_band_plot(k, eigenvalues; kwargs...)
+    P = Wannier.get_band_plot(k, eigenvalues; kwargs...)
     return PlotlyJS.plot(P)
 end
 
+function Wannier.get_band_diff_plot(
+    k, eigenvalues_1::AbstractArray, eigenvalues_2::AbstractArray; kwargs...
+)
+    P1 = Wannier.get_band_plot(k, eigenvalues_1; color="grey", kwargs...)
+    # red and slightly thinner
+    P2 = Wannier.get_band_plot(
+        k, eigenvalues_2; color="red", dash="dash", width=0.9, kwargs...
+    )
+    addtraces!(P1, P2.data...)
+    return P1
+end
+
 """
     $(SIGNATURES)
 
@@ -229,11 +241,6 @@ See [`plot_band`](@ref)
 function Wannier.plot_band_diff(
     k, eigenvalues_1::AbstractArray, eigenvalues_2::AbstractArray; kwargs...
 )
-    P1 = get_band_plot(k, eigenvalues_1; color="grey", kwargs...)
-    # red and slightly thinner
-    P2 = get_band_plot(k, eigenvalues_2; color="red", dash="dash", width=0.9, kwargs...)
-    addtraces!(P1, P2.data...)
-    return plot(P1)
-end
-
+    P = Wannier.get_band_diff_plot(k, eigenvalues_1, eigenvalues_2; kwargs...)
+    return plot(P)
 end