don't import/export/extend vec: import & extend parent

Project.toml

@@ -1,7 +1,7 @@
 name = "Crystalline"
 uuid = "ae5e2be0-a263-11e9-351e-f94dad1eb351"
 authors = ["Thomas Christensen <tchr@mit.edu>"]
-version = "0.4.9"
+version = "0.4.10"
 
 [deps]
 Bravais = "ada6cbde-b013-4edf-aa94-f6abe8bd6e6b"

build/crawl_and_write_wyckpos.jl

@@ -47,7 +47,7 @@ function _write_wyckpos_3d(sgnum::Integer)
     wps = crawl_wyckpos_3d(sgnum)
     open((@__DIR__)*"/../data/wyckpos/3d/"*string(sgnum)*".csv", "w+") do io
         for (idx, wp) in enumerate(wps)
-            qstr = strip(string(vec(wp)), ('[',']'))
+            qstr = strip(string(parent(wp)), ('[',']'))
             for repl in ('α'=>'x', 'β'=>'y', 'γ'=>'z', " "=>"")
                 qstr = replace(qstr, repl)
             end

build/setup_2d_band_representations.jl

@@ -93,10 +93,10 @@ function reduce_orbits!(orbits::Vector{WyckPos{D}}, cntr::Char,
     orbits′ = primitivize.(orbits, cntr)
     i = 2 # start from second element
     while i ≤ length(orbits)
-        wp′ = vec(orbits′[i])
+        wp′ = parent(orbits′[i])
         was_removed = false
         for j in 1:i-1
-            δᵢⱼ = wp′ - vec(orbits′[j])
+            δᵢⱼ = wp′ - parent(orbits′[j])
             if (iszero(free(δᵢⱼ)) && 
                 all(x->abs(rem(x, 1.0, RoundNearest)) < DEFAULT_ATOL, constant(δᵢⱼ)))
                 # -> means it's equivalent to a previously "greenlit" orbit
@@ -122,7 +122,7 @@ function reduce_cosets!(ops::Vector{SymOperation{D}}, wp::WyckPos{D},
     while i ≤ length(ops) && i ≤ length(orbits)
         wpᵢ = orbits[i]
         opᵢ = ops[i]
-        if ops[i]*vec(wp) ≈ wpᵢ
+        if ops[i]*parent(wp) ≈ wpᵢ
             i += 1 # then ops[i] is indeed a "generator" of wpᵢ
         else
             deleteat!(ops, i)
@@ -158,7 +158,7 @@ function induce_bandrep(siteir::SiteIrrep{D}, h::SymOperation{D}, kv::KVec{D}) w
     # sum over all the (non-centering-equivalent) wyckoff positions/cosets in the orbit 
     χᴳₖ = zero(ComplexF64)
     for (wpα′, gα′) in zip(orbits, gαs)
-        tα′α′ = constant(vec(h*wpα′) - vec(wpα′)) # TODO: <-- explain why we only need constant part here?
+        tα′α′ = constant(parent(h*wpα′) - parent(wpα′)) # TODO: <-- explain why we only need constant part here?
         opᵗ   = SymOperation(-tα′α′)
 
         gα′⁻¹     = inv(gα′)

src/Crystalline.jl

@@ -17,10 +17,10 @@ import Base: getindex, setindex!,      # → iteration/AbstractArray interface
              IndexStyle, size, copy,   # ⤶
              iterate,
              string, isapprox, zero,
-             readuntil, vec, show, summary,
+             readuntil, show, summary,
              *, +, -, ==, ImmutableDict,
              isone, one,
-             convert
+             convert, parent
 import LinearAlgebra: inv
 
 
@@ -65,7 +65,7 @@ export SymOperation,                        # types
        israyrep, kvec,                      # ::LGIrrep
        isspecial, translations,
        dim, parts,                          # ::KVec & RVec
-       vec, irreplabels, klabels, kvecs,    # ::BandRep & ::BandRepSet 
+       irreplabels, klabels, kvecs,         # ::BandRep & ::BandRepSet 
        isspinful
 
 include("show.jl") # custom printing for structs defined in src/types.jl
@@ -88,7 +88,7 @@ export classes, is_abelian
 
 include("wyckoff.jl") # wyckoff positions and site symmetry groups
 export get_wycks, WyckPos,
-       multiplicity, vec,
+       multiplicity,
        SiteGroup, orbit, cosets, wyck,
        findmaximal
 

src/wyckoff.jl

@@ -7,17 +7,19 @@ struct WyckPos{D} <: AbstractVec{D}
     letter :: Char
     qv     :: RVec{D} # associated with a single representative
 end
-vec(wp::WyckPos)      = wp.qv
-free(wp::WyckPos)     = free(vec(wp))
-constant(wp::WyckPos) = constant(vec(wp))
+parent(wp::WyckPos)   = wp.qv
+free(wp::WyckPos)     = free(parent(wp))
+constant(wp::WyckPos) = constant(parent(wp))
 
 multiplicity(wp::WyckPos) = wp.mult
 label(wp::WyckPos) = string(multiplicity(wp), wp.letter)
-transform(wp::WyckPos, P::AbstractMatrix{<:Real}) = typeof(wp)(wp.mult, wp.letter, transform(vec(wp), P))
+function transform(wp::WyckPos, P::AbstractMatrix{<:Real})
+    return typeof(wp)(wp.mult, wp.letter, transform(parent(wp), P))
+end
 
 function show(io::IO, ::MIME"text/plain", wp::WyckPos)
     print(io, wp.mult, wp.letter, ": ")
-    show(io, MIME"text/plain"(), vec(wp))
+    show(io, MIME"text/plain"(), parent(wp))
 end
 
 # Site symmetry groups
@@ -49,7 +51,7 @@ wyck(g::SiteGroup) = g.wp
 
 function summary(io::IO, g::SiteGroup)
     print(io, typeof(g), " #", num(g), " at ", label(wyck(g)), " = ")
-    show(io, MIME"text/plain"(), vec(wyck(g)))
+    show(io, MIME"text/plain"(), parent(wyck(g)))
     print(io, " with ", length(g), " operations")
 end
 
@@ -115,7 +117,7 @@ function compose(op::SymOperation{D}, qv::RVec{D}) where D
     return RVec{D}(cnst′, free′)
 end
 function compose(op::SymOperation{D}, wp::WyckPos{D}) where D
-    WyckPos{D}(multiplicity(wp), wp.letter, compose(op, vec(wp)))
+    WyckPos{D}(multiplicity(wp), wp.letter, compose(op, parent(wp)))
 end
 
 (*)(op::SymOperation{D}, qv::RVec{D}) where D = compose(op, qv)
@@ -195,7 +197,7 @@ function SiteGroup(sg::SpaceGroup{D}, wp::WyckPos{D}) where D
     siteops  = Vector{SymOperation{D}}(undef, Nsite)
     cosets   = Vector{SymOperation{D}}(undef, Ncoset)
     orbitqvs = Vector{RVec{D}}(undef, Ncoset)
-    qv       = vec(wp)
+    qv       = parent(wp)
 
     # both cosets and site symmetry group contains the identity operation, and the orbit 
     # automatically contains qv; add them outside loop
@@ -312,7 +314,7 @@ function findmaximal(sitegs::AbstractVector{SiteGroup{D}}) where D
     maximal = Int[]
     for (idx, g) in enumerate(sitegs)
         wp = wyck(g)
-        v  = vec(wp)
+        v  = parent(wp)
         N  = order(g)
 
         # if `wp` is "special" (i.e. has no "free" parameters), then it must
@@ -331,7 +333,7 @@ function findmaximal(sitegs::AbstractVector{SiteGroup{D}}) where D
 
             wp′_orbit = orbit(g′) # must check for all orbits of wp′ in general
             for wp′′ in wp′_orbit
-                v′ = vec(wp′′)
+                v′ = parent(wp′′)
                 if _can_intersect(v, v′) # `wp′` can "intersect" `wp` and is higher order
                     has_higher_sym_nearby = true
                     break

test/wyckoff.jl

@@ -12,7 +12,7 @@ using Crystalline: constant, free
                 g = SiteGroup(sg, wp)
                 @test g isa SiteGroup
 
-                qv = vec(wp)
+                qv = parent(wp)
                 # test that ops in `g` leave the Wyckoff position `wp` invariant
                 for op in g
                     qv′ = op*qv