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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -1,125 +1,165 @@ | ||
| __precompile__(true) | ||
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| """ | ||
| The PeriodicTable module exports an `elements` variable that stores | ||
| data (of type `Element`) on every element in the periodic table. | ||
| The data can be looked up by atomic number via `elements[n]`, by name | ||
| (case-insensitive) via e.g. `elements["oxygen"]`, or by symbol via | ||
| e.g. `elements[:O]`. | ||
| """ | ||
| module PeriodicTable | ||
| export Element, elements | ||
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| # Import modules | ||
| using JSON | ||
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| # constants | ||
| const DATA_FILE = "elements.json" | ||
| const PACKAGE_NAME = "PeriodicTable" | ||
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| """ | ||
| Element composite type | ||
| """ | ||
| type Element | ||
| data | ||
| name | ||
| appearance | ||
| atomic_mass | ||
| boil | ||
| category | ||
| color | ||
| density | ||
| discovered_by | ||
| melt | ||
| molar_heat | ||
| named_by | ||
| number | ||
| period | ||
| phase | ||
| source | ||
| spectral_img | ||
| summary | ||
| symbol | ||
| xpos | ||
| ypos | ||
| shells | ||
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| # inner constructor | ||
| Element(data, | ||
| name = get(data, "name", nothing), | ||
| appearance = get(data, "appearance", nothing), | ||
| atomic_mass = get(data, "atomic_mass", nothing), | ||
| boil = get(data, "boil", nothing), | ||
| category = get(data, "category", nothing), | ||
| color = get(data, "color", nothing), | ||
| density = get(data, "density", nothing), | ||
| discovered_by = get(data, "discovered_by", nothing), | ||
| melt = get(data, "melt", nothing), | ||
| molar_heat = get(data, "molar_heat", nothing), | ||
| named_by = get(data, "named_by", nothing), | ||
| number = get(data, "number", nothing), | ||
| period = get(data, "period", nothing), | ||
| phase = get(data, "phase", nothing), | ||
| source = get(data, "source", nothing), | ||
| spectral_img = get(data, "spectral_img", nothing), | ||
| summary = get(data, "summary", nothing), | ||
| symbol = get(data, "symbol", nothing), | ||
| xpos = get(data, "xpos", nothing), | ||
| ypos = get(data, "ypos", nothing), | ||
| shells = get(data, "shells", nothing)) = new(data,name,appearance,atomic_mass, | ||
| boil,category,color,density, | ||
| discovered_by,melt,molar_heat, | ||
| named_by,number,period,phase,source, | ||
| spectral_img,summary,symbol, | ||
| xpos,ypos,shells) | ||
| mutable struct Element | ||
| name::String | ||
| appearance::String | ||
| atomic_mass::Float64 | ||
| boil::Float64 | ||
| category::String | ||
| color::String | ||
| density::Float64 | ||
| discovered_by::String | ||
| melt::Float64 | ||
| molar_heat::Float64 | ||
| named_by::String | ||
| number::Int | ||
| period::Int | ||
| phase::String | ||
| source::String # url | ||
| spectral_img::String # url | ||
| summary::String | ||
| symbol::String | ||
| xpos::Int | ||
| ypos::Int | ||
| shells::Vector{Int} | ||
| end | ||
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| # like get(data, name, default), but treats | ||
| # non-numeric data as missing | ||
| function getnum(data, name, default::Number) | ||
| v = get(data, name, default) | ||
| return v isa Number ? v : default | ||
| end | ||
|
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| """ | ||
| PT composite type | ||
| """ | ||
| type PT | ||
| data | ||
|
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| # Helper method, something that I am happy it worked! | ||
| function load_data() | ||
| output = [] | ||
| file_path = joinpath(Pkg.dir(PACKAGE_NAME),"src","data", DATA_FILE) | ||
|
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| # open the file, convert data, append to Array | ||
| open(file_path, "r") do file | ||
| data_json = JSON.parse(readstring(file)) | ||
| for d in data_json | ||
| push!(output, Element(d)) | ||
| end | ||
| end | ||
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| output | ||
| end | ||
|
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| # inner constructor | ||
| function PT() | ||
| data = load_data() | ||
| new(data) | ||
| # constructor from JSON-generated Dict | ||
| Element(eldata::Dict) = Element( | ||
| get(eldata, "name", ""), | ||
| get(eldata, "appearance", ""), | ||
| getnum(eldata, "atomic_mass", NaN), | ||
| getnum(eldata, "boil", NaN), | ||
| get(eldata, "category", ""), | ||
| get(eldata, "color", ""), | ||
| getnum(eldata, "density", NaN), | ||
| get(eldata, "discovered_by", ""), | ||
| getnum(eldata, "melt", NaN), | ||
| getnum(eldata, "molar_heat", NaN), | ||
| get(eldata, "named_by", ""), | ||
| getnum(eldata, "number", -1), | ||
| getnum(eldata, "period", -1), | ||
| get(eldata, "phase", ""), | ||
| get(eldata, "source", ""), | ||
| get(eldata, "spectral_img", ""), | ||
| get(eldata, "summary", ""), | ||
| get(eldata, "symbol", ""), | ||
| getnum(eldata, "xpos", -1), | ||
| getnum(eldata, "ypos", -1), | ||
| Vector{Int}(get(eldata, "shells", Int[]))) | ||
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| Base.show(io::IO, el::Element) = print(io, "Element(", el.name, ')') | ||
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| ispresent(s) = !isempty(s) | ||
| ispresent(x::Float64) = !isnan(x) | ||
| ispresent(n::Int) = n ≥ 0 | ||
| function printpresent(io::IO, name, val, suffix=""; pad=16) | ||
| if ispresent(val) | ||
| println(io, lpad(name, pad), ": ", val, suffix) | ||
| end | ||
| end | ||
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| function Base.show(io::IO, ::MIME"text/plain", el::Element) | ||
| println(io, el.name, " (", el.symbol, "), number ", el.number, ':') | ||
| printpresent(io, "category", el.category) | ||
| printpresent(io, "atomic mass", el.atomic_mass, " u") | ||
| printpresent(io, "density", el.density, " g/cm³") | ||
| printpresent(io, "molar heat", el.molar_heat, " J/mol⋅K") | ||
| printpresent(io, "melting point", el.melt, " K") | ||
| printpresent(io, "boiling point", el.boil, " K") | ||
| printpresent(io, "phase", el.phase) | ||
| printpresent(io, "shells", el.shells) | ||
| printpresent(io, "appearance", el.appearance) | ||
| printpresent(io, "color", el.color) | ||
| printpresent(io, "summary", el.summary) | ||
| printpresent(io, "discovered by", el.discovered_by) | ||
| printpresent(io, "named by", el.named_by) | ||
| printpresent(io, "source", el.source) | ||
| printpresent(io, "spectral image", el.spectral_img) | ||
| end | ||
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| """ | ||
| Function to get element by atomic number | ||
| Elements composite type | ||
| """ | ||
| function get_element(pt::PT, atomic_number::Int64) | ||
| pt.data[atomic_number] | ||
| struct Elements | ||
| data::Vector{Element} | ||
| bynumber::Dict{Int,Element} | ||
| byname::Dict{String,Element} | ||
| bysymbol::Dict{Symbol,Element} | ||
| Elements(data::Vector{Element}) = new( | ||
| sort!(data, by=d->d.number), | ||
| Dict{Int,Element}(d.number=>d for d in data), | ||
| Dict{String,Element}(lowercase(d.name)=>d for d in data), | ||
| Dict{Symbol,Element}(Symbol(d.symbol)=>d for d in data)) | ||
| end | ||
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| Base.getindex(e::Elements, i::Integer) = e.bynumber[i] | ||
| Base.getindex(e::Elements, i::AbstractString) = e.byname[lowercase(i)] | ||
| Base.getindex(e::Elements, i::Symbol) = e.bysymbol[i] | ||
| Base.haskey(e::Elements, i::Integer) = haskey(e.bynumber, i) | ||
| Base.haskey(e::Elements, i::AbstractString) = haskey(e.byname, lowercase(i)) | ||
| Base.haskey(e::Elements, i::Symbol) = haskey(e.bysymbol, i) | ||
| Base.get(e::Elements, i::Integer, default) = get(e.bynumber, i, default) | ||
| Base.get(e::Elements, i::AbstractString, default) = get(e.byname, lowercase(i), default) | ||
| Base.get(e::Elements, i::Symbol, default) = get(e.bysymbol, i, default) | ||
|
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| """ | ||
| Show table | ||
| """ | ||
| function Base.show(io::IO, ::MIME"text/plain", p::PT) #We can make this static if data is loaded in compile time | ||
| table_length = length(p.data) | ||
| shape = (10,18) | ||
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| array_table = fill(" ", shape) | ||
| for i in 1:table_length | ||
| el = p.data[i].data | ||
| array_table[el["ypos"], el["xpos"]] = rpad(el["symbol"], 3) | ||
| # support iterating over elements | ||
| Base.eltype(e::Elements) = Element | ||
| Base.length(e::Elements) = length(e.data) | ||
| Base.start(e::Elements) = start(e.data) | ||
| Base.next(e::Elements, i) = next(e.data, i) | ||
| Base.done(e::Elements, i) = done(e.data, i) | ||
|
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| # compact one-line printing | ||
| Base.show(io::IO, e::Elements) = print(io, "Elements(…", length(e), " elements…)") | ||
|
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| # pretty-printing as a periodic table | ||
| function Base.show(io::IO, ::MIME"text/plain", e::Elements) | ||
| println(io, e, ':') | ||
| table = fill(" ", 10,18) | ||
| for el in e | ||
| table[el.ypos, el.xpos] = rpad(el.symbol, 3) | ||
| end | ||
| for i = 1:size(table,1) | ||
| for j = 1:size(table, 2) | ||
| print(io, table[i,j]) | ||
| end | ||
| println(io) | ||
| end | ||
| print(join([join(array_table[i,:]) for i in 1:shape[1]], '\n')) | ||
| end | ||
|
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| # load from JSON data | ||
| function Elements(filename = joinpath(dirname(@__FILE__), "data", "elements.json")) | ||
| data_json = open(JSON.parse, filename) | ||
| data = sizehint!(Element[], length(data_json)) | ||
| for d in data_json | ||
| push!(data, Element(d)) | ||
| end | ||
| return Elements(data) | ||
| end | ||
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| # exports | ||
| export Element, PT, get_element | ||
| const elements = Elements() | ||
|
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| end |
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