Addresses #46 and fixes #47

CHANGELOG.md

@@ -1,8 +1,11 @@
 # News
 
-## v0.3.1 - dev
+## v0.3.1 - 2024-06-21
 
 - Macros for defining symbolic quantum objects.
+- Implement zero objects.
+- Equality for commutative operations, hashing, and lexicographic ordering when printing.
+- Added tests.
 
 ## v0.3.0 - 2024-06-12
 

Project.toml

@@ -1,7 +1,7 @@
 name = "QuantumSymbolics"
 uuid = "efa7fd63-0460-4890-beb7-be1bbdfbaeae"
 authors = ["QuantumSymbolics.jl contributors"]
-version = "0.3.1-dev"
+version = "0.3.1"
 
 [deps]
 Latexify = "23fbe1c1-3f47-55db-b15f-69d7ec21a316"

src/QSymbolicsBase/QSymbolicsBase.jl

@@ -34,7 +34,8 @@
        SAdd,SAddBra,SAddKet,SAddOperator,
        SScaled,SScaledBra,SScaledOperator,SScaledKet,
        STensorBra,STensorKet,STensorOperator,
-       SProjector,MixedState,IdentityOp,SInvOperator,
+       SZeroBra,SZeroKet,SZeroOperator,
+       SProjector,MixedState,IdentityOp,SInvOperator,SHermitianOperator,SUnitaryOperator,SHermitianUnitaryOperator,
        SApplyKet,SApplyBra,SMulOperator,SSuperOpApply,SCommutator,SAnticommutator,SDagger,SBraKet,SOuterKetBra,
        HGate,XGate,YGate,ZGate,CPHASEGate,CNOTGate,
        XBasisState,YBasisState,ZBasisState,
@@ -138,25 +139,15 @@
 const SymQObj = Symbolic{<:QObj} # TODO Should we use Sym or Symbolic... Sym has a lot of predefined goodies, including metadata support
 Base.:(-)(x::SymQObj) = (-1)*x
 Base.:(-)(x::SymQObj,y::SymQObj) = x + (-y)
+Base.hash(x::SymQObj, h::UInt) = isexpr(x) ? hash((head(x), arguments(x)), h) : 
+hash((typeof(x),symbollabel(x),basis(x)), h)
 
-function _in(x::SymQObj, y::SymQObj)
-    for i in arguments(y)
-        if isequal(x, i)
-            return true
-        end
-    end
-    false
-end
-function Base.isequal(x::X,y::Y) where {X<:Union{SymQObj, Symbolic{Complex}}, Y<:Union{SymQObj, Symbolic{Complex}}}
+function Base.isequal(x::X,y::Y) where {X<:SymQObj, Y<:SymQObj}
     if X==Y
         if isexpr(x)
             if operation(x)==operation(y)
                 ax,ay = arguments(x),arguments(y)
-                if (operation(x) === +) && (length(ax) == length(ay))
-                    all(x -> _in(x, y), ax)
-                else
-                    all(zip(ax,ay)) do xy isequal(xy...) end
-                end
+                (operation(x) === +) ? x._set_precomputed == y._set_precomputed : all(zip(ax,ay)) do xy isequal(xy...) end
             else
                 false
             end
@@ -167,6 +158,9 @@
         false
     end
 end
+Base.isequal(::SymQObj, ::Symbolic{Complex}) = false
+Base.isequal(::Symbolic{Complex}, ::SymQObj) = false
+
 
 # TODO check that this does not cause incredibly bad runtime performance
 # use a macro to provide specializations if that is indeed the case

src/QSymbolicsBase/basic_ops_homogeneous.jl

@@ -1,5 +1,6 @@
 ##
-# This file defines the symbolic operations for quantum objects (kets, operators, and bras) that are homogeneous in their arguments.
+# This file defines the symbolic operations for quantum objects (kets, operators, and bras) 
+# that are homogeneous in their arguments.
 ##
 
 """Scaling of a quantum object (ket, operator, or bra) by a number
@@ -16,7 +17,7 @@
 
 julia> 2*A
 2A
-````
+```
 """
 @withmetadata struct SScaled{T<:QObj} <: Symbolic{T}
     coeff
@@ -29,9 +30,9 @@
 operation(x::SScaled) = *
 head(x::SScaled) = :*
 children(x::SScaled) = [:*,x.coeff,x.obj]
-Base.:(*)(c, x::Symbolic{T}) where {T<:QObj} = SScaled{T}(c,x)
-Base.:(*)(x::Symbolic{T}, c) where {T<:QObj} = SScaled{T}(c,x)
-Base.:(/)(x::Symbolic{T}, c) where {T<:QObj} = SScaled{T}(1/c,x)
+Base.:(*)(c, x::Symbolic{T}) where {T<:QObj} = iszero(c) || iszero(x) ? SZero{T}() : SScaled{T}(c, x)
+Base.:(*)(x::Symbolic{T}, c) where {T<:QObj} = c*x
+Base.:(/)(x::Symbolic{T}, c) where {T<:QObj} = iszero(c) ? throw(DomainError(c,"cannot divide QSymbolics expressions by zero")) : (1/c)*x
 basis(x::SScaled) = basis(x.obj)
 
 const SScaledKet = SScaled{AbstractKet}
@@ -70,15 +71,25 @@
 """
 @withmetadata struct SAdd{T<:QObj} <: Symbolic{T}
     dict
-    SAdd{S}(d) where S = length(d)==1 ? SScaled{S}(reverse(first(d))...) : new{S}(d)
+    _set_precomputed
+    _arguments_precomputed
+end
+function SAdd{S}(d) where S 
+    xs = [c*obj for (c,obj) in d]
+    length(d)==1 ? first(xs) : SAdd{S}(d,Set(xs),xs)
 end
 isexpr(::SAdd) = true
 iscall(::SAdd) = true
-arguments(x::SAdd) = [SScaledKet(v,k) for (k,v) in pairs(x.dict)]
+arguments(x::SAdd) = x._arguments_precomputed
 operation(x::SAdd) = +
 head(x::SAdd) = :+
-children(x::SAdd) = [:+,SScaledKet(v,k) for (k,v) in pairs(x.dict)]
-Base.:(+)(xs::Vararg{Symbolic{T},N}) where {T<:QObj,N} = SAdd{T}(countmap_flatten(xs, SScaled{T}))
+children(x::SAdd) = [:+; x._arguments_precomputed]
+function Base.:(+)(xs::Vararg{Symbolic{T},N}) where {T<:QObj,N} 
+    xs = collect(xs)
+    f = first(xs)
+    nonzero_terms = filter!(x->!iszero(x),xs)
+    isempty(nonzero_terms) ? f : SAdd{T}(countmap_flatten(nonzero_terms, SScaled{T}))
+end
 Base.:(+)(xs::Vararg{Symbolic{<:QObj},0}) = 0 # to avoid undefined type parameters issue in the above method
 basis(x::SAdd) = basis(first(x.dict).first)
 
@@ -120,7 +131,10 @@
 operation(x::SMulOperator) = *
 head(x::SMulOperator) = :*
 children(x::SMulOperator) = [:*;x.terms]
-Base.:(*)(xs::Symbolic{AbstractOperator}...) = SMulOperator(collect(xs))
+function Base.:(*)(xs::Symbolic{AbstractOperator}...) 
+    zero_ind = findfirst(x->iszero(x), xs)
+    isnothing(zero_ind) ? SMulOperator(collect(xs)) : SZeroOperator()
+end
 Base.show(io::IO, x::SMulOperator) = print(io, join(map(string, arguments(x)),""))
 basis(x::SMulOperator) = basis(x.terms)
 
@@ -151,7 +165,10 @@
 operation(x::STensor) = ⊗
 head(x::STensor) = :⊗
 children(x::STensor) = pushfirst!(x.terms,:⊗)
-⊗(xs::Symbolic{T}...) where {T<:QObj} = STensor{T}(collect(xs))
+function ⊗(xs::Symbolic{T}...) where {T<:QObj}
+    zero_ind = findfirst(x->iszero(x), xs)
+    isnothing(zero_ind) ? STensor{T}(collect(xs)) : SZero{T}()
+end
 basis(x::STensor) = tensor(basis.(x.terms)...)
 
 const STensorKet = STensor{AbstractKet}
@@ -172,15 +189,15 @@
 [A,B]
 
 julia> commutator(A, A)
-0
+𝟎
 ```
 """
 @withmetadata struct SCommutator <: Symbolic{AbstractOperator}
     op1
     op2
     function SCommutator(o1, o2) 
         coeff, cleanterms = prefactorscalings([o1 o2], scalar=true)
-        cleanterms[1] === cleanterms[2] ? 0 : coeff*new(cleanterms...)
+        cleanterms[1] === cleanterms[2] ? SZeroOperator() : coeff*new(cleanterms...)
     end
 end
 isexpr(::SCommutator) = true
@@ -190,6 +207,9 @@
 head(x::SCommutator) = :commutator
 children(x::SCommutator) = [:commutator, x.op1, x.op2]
 commutator(o1::Symbolic{AbstractOperator}, o2::Symbolic{AbstractOperator}) = SCommutator(o1, o2)
+commutator(o1::SZeroOperator, o2::Symbolic{AbstractOperator}) = SZeroOperator()
+commutator(o1::Symbolic{AbstractOperator}, o2::SZeroOperator) = SZeroOperator()
+commutator(o1::SZeroOperator, o2::SZeroOperator) = SZeroOperator()
 Base.show(io::IO, x::SCommutator) = print(io, "[$(x.op1),$(x.op2)]")
 basis(x::SCommutator) = basis(x.op1)
 expand(x::SCommutator) = x == 0 ? x : x.op1*x.op2 - x.op2*x.op1
@@ -218,6 +238,9 @@
 head(x::SAnticommutator) = :anticommutator
 children(x::SAnticommutator) = [:anticommutator, x.op1, x.op2]
 anticommutator(o1::Symbolic{AbstractOperator}, o2::Symbolic{AbstractOperator}) = SAnticommutator(o1, o2)
+anticommutator(o1::SZeroOperator, o2::Symbolic{AbstractOperator}) = SZeroOperator()
+anticommutator(o1::Symbolic{AbstractOperator}, o2::SZeroOperator) = SZeroOperator()
+anticommutator(o1::SZeroOperator, o2::SZeroOperator) = SZeroOperator()
 Base.show(io::IO, x::SAnticommutator) = print(io, "{$(x.op1),$(x.op2)}")
 basis(x::SAnticommutator) = basis(x.op1)
 expand(x::SAnticommutator) = x == 0 ? x : x.op1*x.op2 + x.op2*x.op1

src/QSymbolicsBase/basic_ops_inhomogeneous.jl

@@ -26,6 +26,9 @@
 head(x::SApplyKet) = :*
 children(x::SApplyKet) = [:*,x.op,x.ket]
 Base.:(*)(op::Symbolic{AbstractOperator}, k::Symbolic{AbstractKet}) = SApplyKet(op,k)
+Base.:(*)(op::SZeroOperator, k::Symbolic{AbstractKet}) = SZeroKet()
+Base.:(*)(op::Symbolic{AbstractOperator}, k::SZeroKet) = SZeroKet()
+Base.:(*)(op::SZeroOperator, k::SZeroKet) = SZeroKet()
 Base.show(io::IO, x::SApplyKet) = begin print(io, x.op); print(io, x.ket) end
 basis(x::SApplyKet) = basis(x.ket)
 
@@ -36,6 +39,7 @@
 
 julia> b*A
 ⟨b|A
+```
 """
 @withmetadata struct SApplyBra <: Symbolic{AbstractBra}
     bra
@@ -52,6 +56,9 @@
 head(x::SApplyBra) = :*
 children(x::SApplyBra) = [:*,x.bra,x.op]
 Base.:(*)(b::Symbolic{AbstractBra}, op::Symbolic{AbstractOperator}) = SApplyBra(b,op)
+Base.:(*)(b::SZeroBra, op::Symbolic{AbstractOperator}) = SZeroBra()
+Base.:(*)(b::Symbolic{AbstractBra}, op::SZeroOperator) = SZeroBra()
+Base.:(*)(b::SZeroBra, op::SZeroOperator) = SZeroBra()
 Base.show(io::IO, x::SApplyBra) = begin print(io, x.bra); print(io, x.op) end
 basis(x::SApplyBra) = basis(x.bra)
 
@@ -75,7 +82,11 @@
 head(x::SBraKet) = :*
 children(x::SBraKet) = [:*,x.bra,x.ket]
 Base.:(*)(b::Symbolic{AbstractBra}, k::Symbolic{AbstractKet}) = SBraKet(b,k)
+Base.:(*)(b::SZeroBra, k::Symbolic{AbstractKet}) = 0
+Base.:(*)(b::Symbolic{AbstractBra}, k::SZeroKet) = 0
+Base.:(*)(b::SZeroBra, k::SZeroKet) = 0
 Base.show(io::IO, x::SBraKet) = begin print(io,x.bra); print(io,x.ket) end
+Base.isequal(x::SBraKet, y::SBraKet) = isequal(x.bra, y.bra) && isequal(x.ket, y.ket)
 
 """Symbolic application of a superoperator on an operator"""
 @withmetadata struct SSuperOpApply <: Symbolic{AbstractOperator}
@@ -89,7 +100,9 @@
 head(x::SSuperOpApply) = :*
 children(x::SSuperOpApply) = [:*,x.sop,x.op]
 Base.:(*)(sop::Symbolic{AbstractSuperOperator}, op::Symbolic{AbstractOperator}) = SSuperOpApply(sop,op)
+Base.:(*)(sop::Symbolic{AbstractSuperOperator}, op::SZeroOperator) = SZeroOperator()
 Base.:(*)(sop::Symbolic{AbstractSuperOperator}, k::Symbolic{AbstractKet}) = SSuperOpApply(sop,SProjector(k))
+Base.:(*)(sop::Symbolic{AbstractSuperOperator}, k::SZeroKet) = SZeroKet()
 Base.show(io::IO, x::SSuperOpApply) = begin print(io, x.sop); print(io, x.op) end
 basis(x::SSuperOpApply) = basis(x.op)
 
@@ -99,6 +112,7 @@
 
 julia> k*b 
 |k⟩⟨b|
+```
 """
 @withmetadata struct SOuterKetBra <: Symbolic{AbstractOperator}
     ket
@@ -115,5 +129,8 @@
 head(x::SOuterKetBra) = :*
 children(x::SOuterKetBra) = [:*,x.ket,x.bra]
 Base.:(*)(k::Symbolic{AbstractKet}, b::Symbolic{AbstractBra}) = SOuterKetBra(k,b)
+Base.:(*)(k::SZeroKet, b::Symbolic{AbstractBra}) = SZeroOperator()
+Base.:(*)(k::Symbolic{AbstractKet}, b::SZeroBra) = SZeroOperator()
+Base.:(*)(k::SZeroKet, b::SZeroBra) = SZeroOperator()
 Base.show(io::IO, x::SOuterKetBra) = begin print(io, x.ket); print(io, x.bra) end
 basis(x::SOuterKetBra) = basis(x.ket)

src/QSymbolicsBase/literal_objects.jl

@@ -67,13 +67,29 @@
 ishermitian(::SHermitianUnitaryOperator) = true
 isunitary(::SHermitianUnitaryOperator) = true
 
-const SymQ = Union{SKet, SBra, SOperator, SHermitianOperator, SUnitaryOperator, SHermitianUnitaryOperator}
+const SymQ = Union{SKet,SBra,SOperator,SHermitianOperator,SUnitaryOperator,SHermitianUnitaryOperator}
 isexpr(::SymQ) = false
 metadata(::SymQ) = nothing
 symbollabel(x::SymQ) = x.name
 basis(x::SymQ) = x.basis
 
 Base.show(io::IO, x::SKet) = print(io, "|$(symbollabel(x))⟩")
 Base.show(io::IO, x::SBra) = print(io, "⟨$(symbollabel(x))|")
-Base.show(io::IO, x::Union{SOperator, SHermitianOperator, SUnitaryOperator, SHermitianUnitaryOperator}) = print(io, "$(symbollabel(x))")
+Base.show(io::IO, x::Union{SOperator,SHermitianOperator,SUnitaryOperator,SHermitianUnitaryOperator}) = print(io, "$(symbollabel(x))")
 Base.show(io::IO, x::SymQObj) = print(io, symbollabel(x)) # fallback that probably is not great
+
+struct SZero{T<:QObj} <: Symbolic{T} end
+
+const SZeroBra = SZero{AbstractBra}
+
+const SZeroKet = SZero{AbstractKet}
+
+const SZeroOperator = SZero{AbstractOperator}
+
+isexpr(::SZero) = false
+metadata(::SZero) = nothing
+symbollabel(x::SZero) =  "𝟎"
+basis(x::SZero) = nothing
+
+Base.show(io::IO, x::SZero) = print(io, symbollabel(x))
+Base.iszero(x::SymQObj) = isa(x, SZero)

src/QSymbolicsBase/predefined.jl

@@ -222,6 +222,7 @@ operation(x::SProjector) = projector
 head(x::SProjector) = :projector
 children(x::SProjector) = [:projector,x.ket]
 projector(x::Symbolic{AbstractKet}) = SProjector(x)
+projector(x::SZeroKet) = SZeroOperator()
 basis(x::SProjector) = basis(x.ket)
 function Base.show(io::IO, x::SProjector)
     print(io,"𝐏[")
@@ -264,20 +265,19 @@ dagger(x::Symbolic{AbstractBra}) = SDagger{AbstractKet}(x)
 dagger(x::Symbolic{AbstractKet}) = SDagger{AbstractBra}(x)
 dagger(x::Symbolic{AbstractOperator}) = SDagger{AbstractOperator}(x)
 dagger(x::SScaledKet) = SScaledBra(conj(x.coeff), dagger(x.obj))
-dagger(x::SAddKet) = SAddBra(Dict(dagger(k)=>v for (k,v) in pairs(x.dict)))
+dagger(x::SAdd) = (+)((dagger(i) for i in arguments(x))...)
 dagger(x::SScaledBra) = SScaledKet(conj(x.coeff), dagger(x.obj))
-dagger(x::SAddBra) = SAddKet(Dict(dagger(b)=>v for (b,v) in pairs(x.dict)))
-dagger(x::SAddOperator) = SAddOperator(Dict(dagger(o)=>v for (o,v) in pairs(x.dict)))
+dagger(x::SZeroOperator) = x
 dagger(x::SHermitianOperator) = x
 dagger(x::SHermitianUnitaryOperator) = x
 dagger(x::SUnitaryOperator) = inv(x)
-dagger(x::STensorBra) = STensorKet([dagger(i) for i in x.terms])
-dagger(x::STensorKet) = STensorBra([dagger(i) for i in x.terms])
-dagger(x::STensorOperator) = STensorOperator([dagger(i) for i in x.terms])
+dagger(x::STensorBra) = STensorKet(collect(dagger(i) for i in x.terms))
+dagger(x::STensorKet) = STensorBra(collect(dagger(i) for i in x.terms))
+dagger(x::STensorOperator) = STensorOperator(collect(dagger(i) for i in x.terms))
 dagger(x::SScaledOperator) = SScaledOperator(conj(x.coeff), dagger(x.obj))
 dagger(x::SApplyKet) = dagger(x.ket)*dagger(x.op)
 dagger(x::SApplyBra) = dagger(x.op)*dagger(x.bra)
-dagger(x::SMulOperator) = SMulOperator([dagger(i) for i in reverse(x.terms)])
+dagger(x::SMulOperator) = SMulOperator(collect(dagger(i) for i in reverse(x.terms)))
 dagger(x::SBraKet) = SBraKet(dagger(x.ket), dagger(x.bra))
 dagger(x::SOuterKetBra) = SOuterKetBra(dagger(x.bra), dagger(x.ket))
 dagger(x::SDagger) = x.obj

src/extensions.jl

@@ -23,6 +23,7 @@ Ket(dim=2)
 end
 isexpr(::StabilizerState) = false
 basis(x::StabilizerState) = SpinBasis(1//2)^nqubits(x.stabilizer)
-Base.show(io::IO, x::StabilizerState) = print(io, "𝒮$(num_to_sub(nqubits(x.stabilizer)))")
+symbollabel(x::StabilizerState) = "𝒮$(num_to_sub(nqubits(x.stabilizer)))"
+Base.show(io::IO, x::StabilizerState) = print(io, symbollabel(x))
 
 StabilizerState(s::T) where {T} = StabilizerState{T}(s) # TODO this is necessary because the @withmetadata macro is not very smart

test/runtests.jl

@@ -34,6 +34,7 @@ println("Starting tests with $(Threads.nthreads()) threads out of `Sys.CPU_THREA
 @doset "commutator"
 @doset "anticommutator"
 @doset "dagger"
+@doset "zero_obj"
 
 VERSION >= v"1.9" && @doset "doctests"
 get(ENV,"JET_TEST","")=="true" && @doset "jet"

test/test_commutator.jl

@@ -5,7 +5,7 @@ using Test
 
 @testset "symbolic commutator tests" begin
     @test isequal(commutator(2*A, B), commutator(A, 2*B)) && isequal(2*commutator(A, B), commutator(2*A, B)) && isequal(commutator(A, 2*B), 2*commutator(A, B))
-    @test commutator(A, A) == 0
+    @test commutator(A, A) == SZeroOperator()
 end
 
 @testset "commutator Pauli tests" begin

test/test_zero_obj.jl

@@ -0,0 +1,39 @@
+using QuantumSymbolics
+using Test
+
+A = SOperator(:A, SpinBasis(1//2))
+k = SKet(:k, SpinBasis(1//2))
+b = SBra(:b, SpinBasis(1//2))
+
+Oop = SZeroOperator()
+Ok = SZeroKet()
+Ob = SZeroBra()
+
+@testset "zero operator tests" begin
+    @test isequal(0*A, Oop) && isequal(A*0, Oop)
+    @test isequal(2*Oop, Oop) && isequal(Oop*2, Oop) && isequal(Oop/2, Oop)
+    @test isequal(Oop + A, A) && isequal(A + Oop, A) && isequal(Oop + Oop, Oop)
+    @test isequal(Oop*A, Oop) && isequal(A*Oop, Oop)
+    @test isequal(Oop ⊗ A, Oop) && isequal(A ⊗ Oop, Oop) && isequal(Oop*Oop, Oop)
+    @test isequal(commutator(A, Oop), Oop) && isequal(commutator(Oop, A), Oop) && isequal(commutator(Oop, Oop), Oop)
+    @test isequal(anticommutator(A, Oop), Oop) && isequal(anticommutator(Oop, A), Oop) && isequal(anticommutator(Oop, Oop), Oop)
+    @test isequal(projector(Ok), Oop)
+    @test isequal(dagger(Oop), Oop)
+end
+
+@testset "zero bra and ket tests" begin
+    @test isequal(0*k, Ok) && isequal(k*0, Ok)
+    @test isequal(2*Ok, Ok) && isequal(Ok*2, Ok) && isequal(Ok/2, Ok)
+    @test isequal(Ok + k, k) && isequal(k + Ok, k) && isequal(Ok + Ok, Ok)
+    @test isequal(Ok ⊗ k, Ok) && isequal(k ⊗ Ok, Ok)
+    @test isequal(0*b, Ob) && isequal(b*0, Ob)
+    @test isequal(2*Ob, Ob) && isequal(Ob*2, Ob) && isequal(Ob/2, Ob)
+    @test isequal(Ob + b, b) && isequal(b + Ob, b) && isequal(Ob + Ob, Ob)
+    @test isequal(Ob ⊗ b, Ob) && isequal(b ⊗ Ob, Ob)
+    @test isequal(Oop*k, Ok) && isequal(A*Ok, Ok) && isequal(Oop*Ok, Ok)
+    @test isequal(b*Oop, Ob) && isequal(Ob*A, Ob) && isequal(Ob*Oop, Ob)
+    @test isequal(Ok*b, Oop) && isequal(k*Ob, Oop) && isequal(Ok*Ob, Oop)
+    @test isequal(Ob*k, 0) && isequal(b*Ok, 0) && isequal(Ob*Ok, 0)
+end
+
+