Type hierarchy

docs/make.jl

@@ -15,6 +15,7 @@ makedocs(
         ],
         "API Reference" => "api.md"
     ],
+    checkdocs=:exports,
     doctest=true
 )
 

docs/src/api.md

@@ -11,7 +11,7 @@ Order = [:type]
 ## Constructors
 
 ```@docs
-Particle
+particle
 proton
 electron
 ```

docs/src/index.md

@@ -35,15 +35,15 @@ p = proton()         # proton
 α = Particle("alpha") # alpha particle
 
 # Create ions and isotopes
-fe3 = Particle("Fe3+")     # Iron(III) ion
-fe56 = Particle("Fe-56")   # Iron-56
+fe = Particle("Fe-56 3+")     # Iron(III) ion
+fe54 = Particle(:Fe, 3, 54)
 d = Particle("D+")         # Deuteron
 
 # Access properties
 println("Electron mass: ", mass(e))
 println("Alpha particle charge: ", charge(α))
-println("Iron charge: ", charge(fe3))
-println("Iron-56 mass number: ", mass_number(fe56))
+println("Iron(III) ion charge: ", charge(fe))
+println("Iron-54 mass number: ", mass_number(fe54))
 println("Deuteron mass: ", mass(d))
 ```
 

docs/src/manual/particle-types.md

@@ -5,19 +5,32 @@ ChargedParticles.jl provides a flexible type system for representing various typ
 ## Type Hierarchy
 
 ```@raw html
+
+The package uses a exhaustive type hierarchy:
+
 <pre>
 AbstractParticle
-└── ChargedParticleImpl
+├── AbstractChargeParticle
+│   ├── Particle
+├── AbstractFermion
+│   ├── AbstractLepton
+│   │   ├── Electron
+│   │   └── Muon
+│   └── AbstractQuark
+│   └── Neutron
+│   └── ...
+└── CustomParticle
 </pre>
 ```
 
-The package uses a simple two-level type hierarchy:
 - `AbstractParticle`: Base abstract type for all particles
-- `ChargedParticleImpl`: Concrete implementation storing particle properties
+- `AbstractChargeParticle`: Particles that could carry an electric charge.
+- `Particle`: Physically meaningful particle type (for ions where symbol encodes the actual type of the particle)
+- `CustomParticle`: Custom particle type for user-defined particles (where symbol is just a label)
 
 ## Particle Properties
 
-Each particle has three fundamental properties:
+Each particle (`Particle`) has three fundamental properties:
 
 1. **Symbol** (`symbol::Symbol`): Chemical symbol or particle identifier
    - Regular elements: `:Fe`, `:He`, etc.

src/ChargedParticles.jl

@@ -6,17 +6,18 @@ using Mendeleev: elements # for PeriodicTable compatibility
 using Match
 using Unitful: me, mp
 
-const ELEMENTARY_PARTICLES = (:e, :μ, :n)
-
 include("./types.jl")
+include("./particle.jl")
 include("./properties.jl")
 include("./aliases.jl")
 include("./utils.jl")
 include("./display.jl")
-include("./_special_particles.jl")
+include("./custom_particles.jl")
+include("./special_particles.jl")
 
-export AbstractParticle, Particle, ChargedParticleImpl
+export AbstractParticle, Particle, CustomParticle
+export Electron, Muon, Neutron
 export mass, charge, charge_number, atomic_number, mass_number, element, mass_energy
 export is_ion, is_chemical_element, is_default_isotope
-export electron, proton
+export particle, electron, proton
 end

src/aliases.jl

@@ -2,6 +2,10 @@
 
 const ELECTRON_ALIASES = ("electron", "e-", "e")
 const PROTON_ALIASES = ("proton", "p+", "p", "H+")
+const POSITRON_ALIASES = ("positron", "e+")
+const NEUTRON_ALIASES = ("neutron", "n")
+const MUON_ALIASES = ("muon", "μ", "μ-", "mu-", "mu")
+
 """
     PARTICLE_ALIASES
 
@@ -10,23 +14,20 @@ Dictionary of common particle aliases and their corresponding (symbol, charge, m
 Each entry maps a string alias to a tuple of (symbol, charge, mass_number)
 """
 PARTICLE_ALIASES = Dict(
-    "e+" => ("e", 1, 0),
-    "positron" => ("e", 1, 0),
-    "neutron" => ("n", 0, 1),
-    "n" => ("n", 0, 1),
+    (PROTON_ALIASES .=> Ref(("H", 1, 1)))...,
+    (ELECTRON_ALIASES .=> :Electron)...,
+    (NEUTRON_ALIASES .=> :Neutron)...,
+    (POSITRON_ALIASES .=> :Positron)...,
+    (MUON_ALIASES .=> :Muon)...,
     "alpha" => ("He", 2, 4),
     "deuteron" => ("H", 1, 2),
     "D+" => ("H", 1, 2),
     "tritium" => ("H", 0, 3),
     "T" => ("H", 0, 3),
     "triton" => ("H", 1, 3),
     "T+" => ("H", 1, 3),
-    "mu-" => ("μ", -1, 0),
-    "muon" => ("μ", -1, 0),
+    "mu-" => :Muon,
+    "muon" => :Muon,
     "antimuon" => ("μ", 1, 0),
     "mu+" => ("μ", 1, 0),
-)
-
-ELECTRON_ALIASES_DICT = Dict(str => ("e", -1, 0) for str in ELECTRON_ALIASES)
-PROTON_ALIASES_DICT = Dict(str => ("H", 1, 1) for str in PROTON_ALIASES)
-PARTICLE_ALIASES = merge(PARTICLE_ALIASES, ELECTRON_ALIASES_DICT, PROTON_ALIASES_DICT)
+)

src/custom_particles.jl

@@ -0,0 +1,36 @@
+"""
+    CustomParticle <: AbstractParticle
+
+A particle with user-defined mass and charge.
+
+# Fields
+- `mass`: The mass of the particle (can be any numeric type or Unitful quantity)
+- `charge_number`: Integer representing the charge state
+- `symbol`: Optional symbol identifier (defaults to nothing)
+
+# Examples
+```julia
+CustomParticle(1.67e-27u"kg", 1)  # A particle with proton-like mass and +1 charge
+CustomParticle(2.0u"GeV", -1, :custom)  # A custom particle with specified symbol
+```
+"""
+@kwdef struct CustomParticle <: AbstractParticle
+    mass::Unitful.Mass
+    charge_number::Int
+    symbol::Symbol
+    function CustomParticle(mass, charge_number, symbol=:custom)
+        new(mass, charge_number, symbol)
+    end
+end
+
+function CustomParticle(mass_energy::Unitful.Energy, charge_number, symbol=:custom)
+    mass = uconvert(u"kg", mass_energy / Unitful.c^2)
+    CustomParticle(mass, charge_number, symbol)
+end
+
+# Override mass method for CustomParticle
+mass(p::CustomParticle) = p.mass
+# CustomParticle doesn't have a mass number
+mass_number(::CustomParticle) = nothing
+# CustomParticle doesn't have an element
+element(::CustomParticle) = nothing

src/particle.jl

@@ -0,0 +1,73 @@
+"""
+    particle(str::AbstractString; mass_numb=nothing, z=nothing)
+
+Create a particle from a string representation.
+
+# Arguments
+- `str::AbstractString`: String representation of the particle
+
+# String Format Support
+- Element symbols: `"Fe"`, `"He"`
+- Isotopes: `"Fe-56"`, `"D"`
+- Ions: `"Fe2+"`, `"H-"`
+- Common aliases: `"electron"`, `"proton"`, `"alpha"`, `"mu-"`
+
+# Examples
+```jldoctest; output = false
+# Elementary particles
+electron = particle("e-")
+muon = particle("mu-")
+positron = particle("e+")
+
+# Ions and isotopes
+proton = particle("H+")
+alpha = particle("He2+")
+deuteron = particle("D+")
+iron56 = particle("Fe-56")
+# output
+Fe
+```
+"""
+function particle(str::AbstractString; mass_numb=nothing, z=nothing)
+    # Check aliases first
+    if haskey(PARTICLE_ALIASES, str)
+        result = PARTICLE_ALIASES[str]
+        if result isa Tuple
+            symbol, charge, mass_number = result
+            return Particle(Symbol(symbol), charge, mass_number)
+        else
+            return eval(result)()
+        end
+    end
+
+    # Try to parse as element with optional mass number and charge
+    result = parse_particle_string(str)
+    if !isnothing(result)
+        (symbol, parsed_charge, parsed_mass_numb) = result
+        element = elements[symbol]
+        charge = determine(parsed_charge, z; default=0)
+        mass_number = determine(parsed_mass_numb, mass_numb; default=element.mass_number)
+        return Particle(symbol, charge, mass_number)
+    end
+    throw(ArgumentError("Invalid particle string format: $str"))
+end
+
+"""
+    particle(sym::Symbol)
+
+Create a particle from its symbol representation.
+
+# Examples
+```jldoctest; output = false
+# Elementary particles
+electron = particle(:e)
+muon = particle(:muon)
+proton = particle(:p)
+# output
+H⁺
+```
+"""
+particle(sym::Symbol; kwargs...) = particle(string(sym); kwargs...)
+
+Particle(str::AbstractString; mass_numb=nothing, z=nothing) = particle(str; mass_numb, z)
+Particle(sym::Symbol; kwargs...) = particle(string(sym); kwargs...)

src/properties.jl

@@ -1,4 +1,4 @@
-const calculated_properties = (:charge, :atomic_number, :element, :mass_energy, :mass)
+const calculated_properties = (:charge_number, :charge, :atomic_number, :element, :mass_energy, :mass, :symbol)
 const properties_fn_map = Dict()
 const synonym_properties = Dict(
     :A => :mass_number,
@@ -22,10 +22,8 @@ end
 # Basic properties
 """Return the mass of the particle"""
 function mass(p::AbstractParticle)
-    get(mass_dicts, p.symbol) do
-        base_mass = mass(p.element, p.mass_number)
-        return base_mass - p.charge_number * Unitful.me
-    end
+    base_mass = mass(p.element, p.mass_number)
+    return base_mass - p.charge_number * Unitful.me
 end
 
 charge_number(p::AbstractParticle) = p.charge_number
@@ -68,21 +66,23 @@ println(mass_number(e))  # 0
 mass_number(p) = p.mass_number
 mass_number(::Nothing) = nothing
 
-function element(p::AbstractParticle)
+element(::AbstractParticle) = nothing
+
+function element(p::Particle)
     @match p.symbol begin
-        x, if x in ELEMENTARY_PARTICLES
-        end => return nothing
         :p => return elements[:H]
         _ => return elements[p.symbol]
     end
 end
 
 mass_energy(p::AbstractParticle) = _format_energy(uconvert(u"eV", p.mass * Unitful.c^2))
 
-function Base.getproperty(p::ChargedParticleImpl, s::Symbol)
+function Base.getproperty(p::AbstractParticle, s::Symbol)
+    s in fieldnames(typeof(p)) && return getfield(p, s)
     s in calculated_properties && return eval(get(properties_fn_map, s, s))(p)
     s in keys(synonym_properties) && return getproperty(p, synonym_properties[s])
-    return getfield(p, s)
 end
 
-Base.propertynames(p::ChargedParticleImpl) = (sort ∘ collect ∘ union)(keys(synonym_properties), calculated_properties, fieldnames(ChargedParticleImpl))
+function Base.propertynames(::T) where {T<:AbstractParticle}
+    (sort ∘ collect ∘ union)(keys(synonym_properties), calculated_properties, fieldnames(T))
+end

src/special_particles.jl

@@ -0,0 +1,38 @@
+const leptons = ("e-", "mu-", "tau-", "nu_e", "nu_mu", "nu_tau")
+const antileptons = ("e+", "mu+", "tau+", "anti_nu_e", "anti_nu_mu", "anti_nu_tau")
+const baryons = ("p+", "n")
+const antibaryons = ("p-", "antineutron")
+
+struct Electron <: AbstractLepton end
+struct Positron <: AbstractLepton end
+struct Muon <: AbstractLepton end
+struct Neutron <: AbstractFermion end
+
+# Properties
+atomic_number(::AbstractFermion) = 0
+mass_number(::AbstractFermion) = 0
+
+## Electron and Positron
+charge_number(::Electron) = -1
+mass(::Electron) = me
+symbol(::Electron) = :e
+
+charge_number(::Positron) = 1
+mass(::Positron) = me
+symbol(::Positron) = :e
+
+## Muon
+charge_number(::Muon) = -1
+mass(::Muon) = 206.7682827me
+symbol(::Muon) = :μ
+
+## Neutron
+charge_number(::Neutron) = 0
+mass(::Neutron) = Unitful.mn
+symbol(::Neutron) = :n
+mass_number(::Neutron) = 1
+
+
+# Convenience constructors for common particles
+"""Create an electron"""
+electron() = Electron()