Support labels (#42)

The aim is to get legends working with pharmacophore features.
This requires overloading one function in Makie itself, so this defines
an extension module. To make this easy, require Julia 1.10 as the new
minimum version.

Author: timholy

.github/workflows/CI.yml

@@ -18,8 +18,8 @@ jobs:
       fail-fast: false
       matrix:
         version:
-          - '1.7'
-          - 'nightly'
+          - '1.10'
+          - '1'
         os:
           - ubuntu-latest
         arch:

Project.toml

@@ -1,7 +1,7 @@
 name = "GaussianMixtureAlignment"
 uuid = "f2431ed1-b9c2-4fdb-af1b-a74d6c93b3b3"
 authors = ["Tom McGrath <[email protected]> and contributors"]
-version = "0.1.9"
+version = "0.1.10"
 
 [deps]
 Colors = "5ae59095-9a9b-59fe-a467-6f913c188581"
@@ -20,13 +20,20 @@ Requires = "ae029012-a4dd-5104-9daa-d747884805df"
 Rotations = "6038ab10-8711-5258-84ad-4b1120ba62dc"
 StaticArrays = "90137ffa-7385-5640-81b9-e52037218182"
 
+[weakdeps]
+Makie = "ee78f7c6-11fb-53f2-987a-cfe4a2b5a57a"
+
+[extensions]
+GaussianMixtureAlignmentMakieExt = "Makie"
+
 [compat]
 CoordinateTransformations = "0.6"
 Distances = "0.10"
 Colors = "0.12"
 GenericLinearAlgebra = "0.3"
 GeometryBasics = "0.4"
 Hungarian = "0.7"
+Makie = "0.21"
 MakieCore = "0.6, 0.7, 0.8"
 MutableConvexHulls = "0.2"
 NearestNeighbors = "0.4.1"
@@ -35,7 +42,7 @@ PairedLinkedLists = "0.2"
 Requires = "1.3"
 Rotations = "1.4"
 StaticArrays = "1.5"
-julia = "1.7"
+julia = "1.10"
 
 [extras]
 IntervalSets = "8197267c-284f-5f27-9208-e0e47529a953"

ext/GaussianMixtureAlignmentMakieExt.jl

@@ -0,0 +1,9 @@
+module GaussianMixtureAlignmentMakieExt
+
+using GaussianMixtureAlignment
+using Makie
+
+# Needed to get legends working, see https://github.com/MakieOrg/Makie.jl/issues/1148
+Makie.get_plots(p::GaussianMixtureAlignment.GMMDisplay) = p.plots
+
+end

src/draw.jl

@@ -65,9 +65,10 @@ function plot!(gd::GaussianDisplay{<:NTuple{<:Any, <:AbstractIsotropicGaussian}}
     gauss = [gd[i][] for i=1:length(gd)]
     disp = gd[:display][]
     color = gd[:color][]
+    label = gd[:label][]
     plotfun = disp == :wire ? wire_sphere! : ( disp == :solid ? solid_sphere! : throw(ArgumentError("Unrecognized display option: `$disp`")))
     for g in gauss
-        plotfun(gd, g.μ, g.σ; color=color)
+        plotfun(gd, g.μ, g.σ; color=color, label)
     end
     return gd
 end
@@ -77,6 +78,7 @@ end
         display = :wire,
         palette = DEFAULT_COLORS,
         color = nothing,
+        label = "",
     )
 end
 
@@ -86,9 +88,10 @@ function plot!(gd::GMMDisplay{<:NTuple{<:Any,<:AbstractIsotropicGMM}})
     disp = gd[:display][]
     color = gd[:color][]
     palette = gd[:palette][]
+    label = gd[:label][]
     for (i,gmm) in enumerate(gmms)
         col = isnothing(color) ? palette[(i-1) % len + 1] : color
-        gaussiandisplay!(gd, gmm.gaussians...; display=disp, color=col)
+        gaussiandisplay!(gd, gmm.gaussians...; display=disp, color=col, label)
     end
     return gd
 end
@@ -106,7 +109,7 @@ function plot!(gd::GMMDisplay{<:NTuple{<:Any,<:AbstractIsotropicMultiGMM{N,T,K}}
     for (i,k) in enumerate(allkeys)
         col = isnothing(color) ? palette[(i-1) % len + 1] : color
         for mgmm in mgmms
-            haskey(mgmm.gmms, k) && gmmdisplay!(gd, mgmm.gmms[k]; display=disp, color=col, palette=palette)
+            haskey(mgmm.gmms, k) && gmmdisplay!(gd, mgmm.gmms[k]; display=disp, color=col, palette=palette, label=string(k))
         end
     end
     return gd

test/draw.jl

@@ -20,5 +20,5 @@ using Test
         :positive => IsotropicGMM([ch_g]),
         :steric => IsotropicGMM(s_gs)
     ))
-    gmmdisplay(gmm)
+    gmmdisplay(mgmmx)
 end