Strip (s), (l), (g), (aq)

Project.toml

@@ -1,7 +1,7 @@
 name = "ChemEquations"
 uuid = "75e6b969-eb85-49eb-b654-b2cb515e226f"
 authors = ["zdroid <zlatanvasovic@gmail.com> and contributors"]
-version = "0.2.0"
+version = "0.2.1"
 
 [deps]
 DocStringExtensions = "ffbed154-4ef7-542d-bbb7-c09d3a79fcae"

docs/src/examples.md

@@ -14,11 +14,15 @@ julia> balance(equation)
 2 Fe + 3 Cl2 = 2 FeCl3
 ```
 
-Parsing the input is insensitive to whitespace, so you don't have to be pedantic if you don't want to.
+Parsing the input is insensitive to whitespace and to state symbols (`(s)`, `(l)`, `(g)`, `(aq)`),
+so you don't have to be pedantic if you don't want to.
 
 ```julia-repl
 julia> balance(ce"KMnO4+ HCl = KCl+MnCl2 +H2O + Cl2")
 2 KMnO4 + 16 HCl = 2 KCl + 2 MnCl2 + 8 H2O + 5 Cl2
+
+julia> balance(ce"Zn(s) + O2(g) = ZnO(s)")
+2 Zn + O2 = 2 ZnO
 ```
 
 Parentheses (`()`), compounds written with `*` and electrical charges are all supported.

src/balance.jl

@@ -47,7 +47,9 @@ Returns an array in which each column represents a solution.
 balancematrix(equation::ChemEquation) = _balancematrix(equation)
 
 """
-Same as [`balancematrix(::ChemEquation)`](@ref), but with special format options.
+Same as [`balancematrix(::ChemEquation)`](@ref),
+but for a chemical equation with integer coefficients.
+
 By default, the solutions of integer matrices are displayed as integers.
 If `fractions` is true, they will be displayed as rational fractions instead.
 """
@@ -62,7 +64,6 @@ end
 
 """
 Balances the coefficients of a chemical equation.
-
 If the equation cannot be balanced, an error is thrown.
 
 !!! info
@@ -75,11 +76,13 @@ julia> balance(ce"Fe + Cl2 = FeCl3")
 
 julia> balance(ChemEquation{Rational}("H2 + Cl2 = HCl"))
 1//2 H2 + 1//2 Cl2 = HCl
+```
 """
 balance(equation::ChemEquation) = _balance(equation)
 
 """
 Balances the coefficients of a chemical equation with integer coefficients.
+
 The minimal integer solution is displayed by default.
 If `fractions` is true, they solution will be displayed as rational fractions instead.
 

src/chemequation.jl

@@ -20,23 +20,9 @@ struct ChemEquation{T<:Real}
     tuples::Vector{CompoundTuple{T}}
 end
 
-"""
-Constructs a chemical equation of specified type from `str`.
-Follows the same rules as [`ChemEquation(::AbstractString)`](@ref).
-
-# Examples
-```jldoctest
-julia> ChemEquation{Rational}("1//2 H2 → H")
-1//2 H2 = H
-
-julia> ChemEquation{Float64}("0.5 H2 + 0.5 Cl2 = HCl")
-0.5 H2 + 0.5 Cl2 = HCl
-```
-"""
-ChemEquation{T}(str::AbstractString) where T<:Real = ChemEquation(_compoundtuples(str, T))
-
 """
 Constructs a chemical equation from the given string.
+If no `{Type}` is provided, it defaults to `Int`.
 
 Parsing is insensitive to whitespace.
 Any character in [`EQUALCHARS`](@ref) separates the equation into two sides,
@@ -52,13 +38,21 @@ C2H4O2 + Na = H2 + C2H3O2Na
 
 julia> ChemEquation("⏣H + Cl2 = ⏣Cl + HCl")
 ⏣H + Cl2 = ⏣Cl + HCl
+
+julia> ChemEquation{Rational}("1//2 H2 → H")
+1//2 H2 = H
+
+julia> ChemEquation{Float64}("0.5 H2 + 0.5 Cl2 = HCl")
+0.5 H2 + 0.5 Cl2 = HCl
+```
 ```
 """
+ChemEquation{T}(str::AbstractString) where T<:Real = ChemEquation(_compoundtuples(str, T))
 ChemEquation(str::AbstractString) = ChemEquation{Int}(str)
 
 "Extracts compound tuples from equation's string."
 function _compoundtuples(str::AbstractString, T::Type)
-    strs = replace(str, ' ' => "") |>
+    strs = replace(str, [' ', '_'] => "") |>
         x -> split(x, EQUALCHARS) |>
         x -> split.(x, PLUSREGEX)
     splitindex = length(strs[1])
@@ -112,7 +106,7 @@ Creates a string to represent the chemical equation.
 All compounds are displayed with [`Base.string(::Compound)`](@ref),
 in the order in which they were originally given,
 with coefficients equal to 1 not displayed.
-'=' and '+' are used as separators, with spaces inserted for easier reading.
+`'='` and `'+'` are used as separators, with spaces inserted for easier reading.
 
 # Examples
 ```jldoctest

src/compound.jl

@@ -25,7 +25,8 @@ ends with a lowercase unicode letter or a unicode symbol.
     An element can also begin with a symbol if
     the symbol is the first character (e.g. `"⬡H"`).
 
-Parsing is insensitive to whitespace and underscores (`_`).
+Parsing is insensitive to whitespace and underscores (`_`),
+but also to state symbols (`(s)`, `(l)`, `(g)`, `(aq)`).
 Special parsing is implemented for:
 - parens (e.g. `"(CH3COO)2Mg"`)
 - compounds with `"*"` (e.g. `"CuSO4 * 5H2O"`)
@@ -35,7 +36,7 @@ It is automatically deduced for electron (`"e"`).
 
 # Examples
 ```jldoctest
-julia> Compound("H2O")
+julia> Compound("H2O(s)")
 H2O
 
 julia> Compound("H3O{+}")
@@ -53,6 +54,7 @@ julia> Compound("⬡Cl")
 """
 function Compound(str::AbstractString)
     str = replace(str, [' ', '_'] => "")
+    str = replace(str, r"\((s|l|g|aq)\)$" => "") # remove state symbols
     Compound(_elementtuples(str), _charge(str))
 end
 
@@ -153,7 +155,7 @@ Creates a string to represent the compound.
 
 All elements are displayed only once (e.g. `"H2O"` and not `"HOH"`),
 in the order in which they were originally given (e.g. `"MgO2H2"` from `cc"Mg(OH)2"`),
-with coefficients equal to 1 not displayed (e.g. `"O"` and not `"O1"`).
+with coefficients equal to 1 not displayed (e.g. `"H"` and not `"H1"`).
 
 # Examples
 ```jldoctest

test/balance.jl

@@ -62,6 +62,7 @@ end
             "5 PhCH3 + 6 KMnO4 + 9 H2SO4 = 5 PhCO2H + 3 K2SO4 + 6 MnSO4 + 14 H2O",
         "CuSO4*5H2O = CuSO4 + H2O" =>
             "CuSO4*5H2O = CuSO4 + 5 H2O",
+        "Zn(s) + O2(g) = ZnO(s)" => "2 Zn + O2 = 2 ZnO"
     ]
     for equation ∈ equations
         @test balance(ChemEquation(equation[1])) == ChemEquation(equation[2])

test/compound.jl

@@ -22,6 +22,10 @@ end
     @test cc"H2" == cc"H2"
     @test cc"{-}" == cc"{-1}"
     @test cc"CH2(OH)2(CH)" == cc"O2H5C2"
+
+    @test cc"H H" == cc"H2"
+    @test cc"H_1C_1O_1" == cc"HCO"
+    @test cc"Mg(OH)2(s)" == cc"Mg(OH)2(aq)"
 end
 
 @testset "string" begin