Abstract Parametric Types in Julia - julia

Is it possible in Julia to have two structs with the same name but be assigned different types and thus be distinguishable?
I have been reading https://docs.julialang.org/en/v1/manual/types/#Parametric-Types-1 and it seems to be leading towards what I want but I can't get it to work...
In force-fields for molecular simulation there are dihedral parameters to describe torsion angles in molecules. There are different kinds for example purposes lets limit them to 2 kinds: proper and improper. I would like to have two structures, both called dihedral, but given the types "proper" and "improper". I would then have methods specific to each type to calculate the forces due to dihedrals. I think abstract parametric types get me the closest to what I want but I can't get them sorted...
abstract type proper end
abstract type improper end
struct Dihedral <: proper
ai::Int64
kparam::Vector{Float64}
end
struct Dihedral <: improper
ai:Int64
kparam::Float64
end
The above code does not work... I have tried using
abstract type dihedral end
abstract type proper <: dihedral end
abstract type improper <: dihedral end
struct Dihedral <: dihedral{proper}
...
end
struct Dihedral <: dihedral{improper}
...
end
But I always get in trouble for redefining Dihedral
ERROR: LoadError: invalid redefinition of constant Dihedral
Stacktrace:
[1] top-level scope at none:0
My thought is that I can add in more types of dihedrals and all i need to do is also add in their methods and the simulation will automatically use the new dihedral.methods. If I try making structs of different names, then I start having to use if statements to direct the program to the correct structure and later to the correct methods... This is what I want to avoid i.e.,
if dihedraltype == "proper"
struct_proper(...)
elseif dihedraltype =="improper"
struct_improper()
elseif dihedraltype == "newStyle"
struct_newStyle()
end
using this method I would have to find all places in my code where I call dihedral and add in the new type... dihedral is just an example, there are many "phenomenas" that have different methods for calculating the phenomena.

I would use the following approach if you want to use a parametric type:
abstract type DihedralType end
struct Proper <: DihedralType
ai::Int64
kparam::Vector{Float64}
end
struct Improper <: DihedralType
ai::Int64
kparam::Float64
end
struct Dihedral{T<:DihedralType}
value::T
end
Dihedral(ai::Int64, kparam::Vector{Float64}) = Dihedral(Proper(ai, kparam))
Dihedral(ai::Int64, kparam::Float64) = Dihedral(Improper(ai, kparam))
and now you can write e.g.:
Dihedral(1, [1.0, 2.0])
Dihedral(1, 1.0)
The parameter of type Dihedral passes you information what kind of the object you are working with. Then some methods may be generic and call Dihedral e.g.:
julia> ai(d::Dihedral) = d.value.ai
ai (generic function with 1 method)
julia> ai(Dihedral(1, 1.0))
1
julia> ai(Dihedral(1, [1.0, 2.0]))
1
julia> kparam(d::Dihedral) = d.value.kparam
kparam (generic function with 1 method)
julia> kparam(Dihedral(1, 1.0))
1.0
julia> kparam(Dihedral(1, [1.0, 2.0]))
2-element Array{Float64,1}:
1.0
2.0
and some may be type parameter specific:
julia> len(d::Dihedral{Proper}) = length(kparam(d))
len (generic function with 1 method)
julia> len(Dihedral(1, [1.0, 2.0]))
2
julia> len(Dihedral(1, 1.0))
ERROR: MethodError: no method matching len(::Dihedral{Improper})
Closest candidates are:
len(::Dihedral{Proper}) at REPL[15]:1
Stacktrace:
[1] top-level scope at none:0
Does this approach give you what you have expected?
EDIT
Actually maybe an even simpler approach may be enough for you (depending on the use case). Just define:
abstract type AbstractDihedral end
struct Proper <: AbstractDihedral
ai::Int64
kparam::Vector{Float64}
end
struct Improper <: AbstractDihedral
ai::Int64
kparam::Float64
end
and then implement methods in terms of DihedralType if they are generic for all dihedrals and if you want to add some specific method to a given concrete type just add this method with this concrete type in the signature. For example:
ai(d::AbstractDihedral) = d.ai
kparam(d::AbstractDihedral) = d.kparam
len(d::Proper) = length(d.kparam) # will not work for Improper
In this approach you do not need to use a parametric type. The difference is that in the parametric type approach you can extract out the parameters that are the same for all dihedrals to the "parent" struct and define only dihedral specific parameters in the "wrapped" struct. In the second approach you have define all fields every time for each struct.

Related

Julia: Parametric types with inner constructor: new and typeof

Trying to understand parametric types and the new function available for inner methods. The manual states "special function available to inner constructors which created a new object of the type". See the section of the manual on new here and the section of the manual on inner constructor methods here.
Consider an inner method designed to calculate the sum of x, where x could be, say, a vector or a tuple, and is given the parametric type T. A natural thing to want is for the type of the elements of x to be inherited by their sum s. I don't seem to need new for that, correct?
struct M{T}
x::T
s
function M(x)
s = sum(x)
x,s
end
end
julia> M([1,2,3])
([1, 2, 3], 6)
julia> M([1.,2.,3.])
([1.0, 2.0, 3.0], 6.0)
julia> typeof(M([1.,2.,3.]))
Tuple{Vector{Float64}, Float64}
Edit: Correction! I intended to have the last line of the inner constructor be M(x,s)... It's still an interesting question, so I won't correct it. How does M(x,s) differ from new{typeof(x)}(x,s)?
One usage of new I have seen is in combination with typeof(), something like:
struct M{T}
x::T
s
function M(x)
s = sum(x)
new{typeof(x)}(x,s)
end
end
julia> M([1,2,3])
M{Vector{Int64}}([1, 2, 3], 6)
julia> M([1.,2.,3.])
M{Vector{Float64}}([1.0, 2.0, 3.0], 6.0)
What if wanted to constrain s to the same type as x? That is, for instance, if x is a vector, then s should be a vector (in this case, a vector of one element). How would I do that? If I replace the last line of the inner constructor with x, new{typeof(x)}(s), I get the understandable error:
MethodError: Cannot `convert` an object of type Int64 to an object of type Vector{Int64}
Here are the rules:
If you are writing an outer constructor for a type M, the constructor should return an instance of M by eventually calling the inner constructor, like this: M(<args>).
If you are writing an inner constructor, this will override the default inner constructor. So you must return an instance of M by calling new(<args>).
The new "special function" exists to allow the construction of a type that doesn't have a constructor yet. Observe the following example:
julia> struct A
x::Int
function A(x)
A(x)
end
end
julia> A(4)
ERROR: StackOverflowError:
Stacktrace:
[1] A(::Int64) at ./REPL[3]:4 (repeats 79984 times)
This is a circular definition of the constructor for A, which results in a stack overflow. You cannot pull yourself up by your bootstraps, so Julia provides the new function as a way to circumvent this problem.
You should provide the new function with a number of arguments equal to the number of fields in your struct. Note that the new function will attempt to convert the types of its inputs to match the declared types of the fields of your struct:
julia> struct B
x::Float64
B(x) = new(x)
end
julia> B(5)
B(5.0)
julia> B('a')
B(97.0)
julia> B("a")
ERROR: MethodError: Cannot `convert` an object of type String to an object
of type Float64
(The inner constructor for B above is exactly the same as the default inner constructor.)
When you're defining parametric types, the new function must be provided with a number of parameters equal to the number of parameters for your type (and in the same order), analogously to the default inner constructor for parametric types. First observe how the default inner constructor for parametric types is used:
julia> struct Foo{T}
x::T
end
julia> Foo{String}("a")
Foo{String}("a")
Now if you were writing an inner constructor for Foo, instead of writing Foo{T}(x) inside the constructor, you would replace the Foo with new, like this: new{T}(x).
You might need typeof to help define the constructor, but often you don't. Here's one way you could define your M type:
struct M{I, T}
x::I
s::T
function M(x::I) where I
s = sum(x)
new{I, typeof(s)}(x, s)
end
end
I'm using typeof here so that I could be any iterable type that returns numbers:
julia> typeof(M(1:3))
M{UnitRange{Int64},Int64}
julia> g = (rand() for _ in 1:10)
Base.Generator{UnitRange{Int64},var"#5#6"}(var"#5#6"(), 1:10)
julia> typeof(M(g))
M{Base.Generator{UnitRange{Int64},var"#5#6"},Float64}
Note that providing the parameters for your type is required when you are using new inside an inner constructor for a parametric type:
julia> struct C{T}
x::Int
C(x) = new(x)
end
ERROR: syntax: too few type parameters specified in "new{...}" around REPL[6]:1
Remember, a constructor is designed to construct something. Specifically, the constructor M is designed to construct a value of type M. Your example constructor
struct M{T}
x::T
s
function M(x)
s = sum(x)
x,s
end
end
means that the result of evaluating the expression M([1 2 3]) is a tuple, not an instance of M. If I encountered such a constructor in the wild, I'd assume it was a bug and report it. new is the internal magic that allows you to actually construct a value of type M.
It's a matter of abstraction. If you just want a tuple in the first place, then forget about the structure called M and just define a function m at module scope that returns a tuple. But if you intend to treat this as a special data type, potentially for use with dynamic dispatch but even just for self-documentation purposes, then your constructor should return a value of type M.

Julia: Override method to add functionality

I would like to extend an abstract type's method in a concrete type.
I can do it with a new method but this introduces more complexity:
abstract type AbstractTask end
function complete(task::AbstractTask)
complete_concrete_task(task)
println("Done!")
end
struct Task <: AbstractTask
name::String
end
complete_concrete_task(task::Task) = println(task.name)
coding = Task("coding")
complete(coding)
In Python, I would use the super operator. Is there an equivalent in Julia?
Thanks in advance!
I would say that using dispatch the way you did introduces much less cognitive complexity than a call to super. But you can use invoke select methods of supertypes:
julia> abstract type AbstractTask end
julia> function complete(task::AbstractTask)
println("Done!")
end
complete (generic function with 1 method)
julia> struct Task <: AbstractTask
name::String
end
julia> complete(task::Task) = (println(task.name); invoke(complete, Tuple{AbstractTask}, task))
complete (generic function with 2 methods)
julia> coding = Task("coding")
Task("coding")
julia> complete(coding)
coding
Done!
Of course this requires you not to forget to add it to every subtype method, which is the additional complexity I mean.
The good thing is that invoke with a constant type parameter will be compiled away (or so I have read), so there's not even overhead from dispatch.

Julia: Defining promote_rule with multiple parametric types

Say I want to define a promote_rule() for a type that has multiple parametric types, for example for type MyType:
abstract type State end
struct Open<:State end
struct Closed<:State end
struct MyType{T,S<:State}
x::T
state::S
end
Is there a way to define a promote_rule() which only promotes the first type and not the second, for example:
myFloat = MyType(1.0, Open()) # MyType{Float64, Open}
myInt = MyType(2, Closed()) # MyType{Int64, Closed}
promote(myFloat, myInt)
# (MyType{Float64, Open}, MyType{Float64, Closed})
By definition, the result of a promotion is one common type. So while you can just recursively promote the Ts, you have to resort to a common supertype for the Ss if you want to keep them as is. Simply using State would be a valid choice, but a Union leads to a bit more fine-grained results:
julia> Base.promote_rule(::Type{MyType{T1, S1}}, ::Type{MyType{T2, S2}}) where {T1, T2, S1, S2} = MyType{promote_type(T1, T2), <:Union{S1, S2}}
julia> promote_type(MyType{Int, Closed}, MyType{Float64, Closed})
MyType{Float64,#s12} where #s12<:Closed
julia> promote_type(MyType{Int, Closed}, MyType{Float64, Open})
MyType{Float64,#s12} where #s12<:Union{Closed, Open}
You still have to define the respective convert methods for promote to work, of course; specifically, one ignoring the state type:
julia> Base.convert(::Type{<:MyType{T}}, m::MyType) where {T} = MyType(convert(T, m.x), m.state)
julia> promote(myFloat, myInt)
(MyType{Float64,Open}(1.0, Open()), MyType{Float64,Closed}(2.0, Closed()))
But be sure to test all kinds of combinations really well. Promotion and conversion is really fiddly and hard to get right the first time, in my experience.

Purpose of "where" keyword in constructor of a parametric type

For the Julia manual parametric composite type example
struct Point{T}
x::T
y::T
end
it is possible to write an outer constructor such as
Point(x::T, y::T) where {T} = Point{T}(x, y)
Why is the where {T} part needed, i.e. why isn't
Point(x::T, y::T) = Point{T}(x, y)
possible? Julia complains that T is not defined, but could it not figure out that T is a type from the :: syntax? I am a newcomer to Julia so I might be missing something pretty basic.
T is a variable that has to be defined. If you do not define it in where Julia starts looking for it in an outer scope. Here is an example:
julia> struct Point{T}
x::T
y::T
end
julia> Point(x::T, y::T) = Point{T}(x, y)
ERROR: UndefVarError: T not defined
Stacktrace:
[1] top-level scope at REPL[2]:1
julia> T = Integer
Integer
julia> Point(x::T, y::T) = Point{T}(x, y)
Point
julia> Point(1,1)
Point{Integer}(1, 1)
Note that in this example you do not get what you expected to get, as probably you have hoped for Point{Int64}(1,1).
Now the most tricky part comes:
julia> Point(1.5,1.5)
Point{Float64}(1.5, 1.5)
What is going on you might ask. Well:
julia> methods(Point)
# 2 methods for type constructor:
[1] (::Type{Point})(x::Integer, y::Integer) in Main at REPL[4]:1
[2] (::Type{Point})(x::T, y::T) where T in Main at REPL[1]:2
The point is that The (::Type{Point})(x::T, y::T) where T already got defined by default when the struct as defined so with the second definition you have just added a new method for T = Integer.
In short - always use where to avoid getting surprising results. For example if you would write:
julia> T = String
String
julia> Point(1,1)
ERROR: MethodError: Cannot `convert` an object of type Int64 to an object of type String
you get a problem. As the signature of Point is fixed when it is defined but in the body T is taken from a global scope, and you have changed it from Integer to String, so you get an error.
Expanding on what #Oscar Smith noted the location of where is also sensitive to scope, and tells Julia on what level the "wildcard" is introduced. For example:
ulia> T1 = Vector{Vector{T} where T<:Real}
Array{Array{T,1} where T<:Real,1}
julia> T2 = Vector{Vector{T}} where T<:Real
Array{Array{T,1},1} where T<:Real
julia> isconcretetype(T1)
true
julia> isconcretetype(T2)
false
julia> T1 isa UnionAll
false
julia> T2 isa UnionAll
true
julia> x = T1()
0-element Array{Array{T,1} where T<:Real,1}
julia> push!(x, [1,2])
1-element Array{Array{T,1} where T<:Real,1}:
[1, 2]
julia> push!(x, [1.0, 2.0])
2-element Array{Array{T,1} where T<:Real,1}:
[1, 2]
[1.0, 2.0]
and you can see that T1 is a concrete type that can have an instance, and we created one calling it x. This concrete type can hold vectors whose element type is <:Real, but their element types do not have to be the same.
On the other hand T2 is a UnionAll, i.e. some of its "widlcards" are free (not known yet). However, the restriction is that in all concrete types that match T2 all vectors must have the same element type, so:
julia> Vector{Vector{Int}} <: T2
true
julia> Vector{Vector{Real}} <: T2
true
but
julia> T1 <: T2
false
In other words in T2 the wildcard must have one concrete value that can be matched by a concrete type.
I'm going to take a different tack from BogumiƂ's excellent answer (which is 100% correct, but might be missing the crux of the confusion).
There's nothing special about the name T. It's just a common convention for a short name for an arbitrary type. Kinda like how we often use the name A for matrices or i in for loops. The fact that you happened to use the same name in the struct Point{T} and in the outer constructor is irrelevant (but handy for the readers of your code). You could have just as well done:
struct Point{SpecializedType}
x::SpecializedType
y::SpecializedType
end
Point(x::Wildcard, y::Wildcard) where {Wildcard <: Any} = Point{Wildcard}(x, y)
That behaves exactly the same as what you wrote. Both of the above syntaxes (the struct and the method) introduce a new name that will behave like a "wildcard" that specializes and matches appropriately. When you don't have a where clause, you're no longer introducing a wildcard. Instead, you're just referencing types that have already been defined. For example:
Point(x::Int, y::Int) = Point{Int}(x, y)
That is, this will reference the Int that was already defined.
I suppose you could say, but if T wasn't defined, why can't Julia just figure out that it should be used as a wildcard. That may be true, but it introduces a little bit of non-locality to the syntax, where the behavior is drastically different depending upon what happens to be defined (or even exported from a used package).

How to define a constant in Julia struct

I want to define a struct:
struct unit_SI_gen
x::Float32
const c = 2.99792458e8
speed(x)=c*x
end
However, it raise an error :
syntax: "c = 2.99792e+08" inside type definition is reserved
I know I cant use struct as class in python, but I can not find how to solve this problem.
How to define a constant in struct ?
Given I agree with what was said above about normal usage of struct in Julia, it is actually possible to define what was requested in the question using an inner constructor:
struct unit_SI_gen{F} # need a parametric type to make it fast
x::Float32
c::Float64 # it is a constant across all unit_SI_gen instances
speed::F # it is a function
function unit_SI_gen(x)
c = 2.99792458e8
si(x) = c*x
new{typeof(si)}(x, c, si)
end
end
I second #Tasos's comment, you should probably make yourself familiar with Julia's structs first. The relevant part of the documentation is probably here.
Since you declared your struct as struct (in contrast to mutable struct) it is immutable and hence all (immutable) fields of the struct are constants in the sense that they can't be changed.
julia> struct A
x::Int
end
julia> a = A(3)
A(3)
julia> a.x = 4
ERROR: type A is immutable
Stacktrace:
[1] setproperty!(::A, ::Symbol, ::Int64) at .\sysimg.jl:19
[2] top-level scope at none:0
Note, that they get their unchangeable value in the construction process and not in the struct definition.
Also, methods should generally live outside of the struct definition.

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