fjebaker · fjebaker · Oct 1, 2023 · Oct 1, 2023 · Oct 1, 2023 · Oct 1, 2023
diff --git a/src/SpectralFitting.jl b/src/SpectralFitting.jl
@@ -33,13 +33,16 @@ using DocStringExtensions
 abstract type AbstractMission end
 struct NoMission <: AbstractMission end
 
+abstract type AbstractStatistic end
+
 # unitful units
 include("units.jl")
 SpectralUnits.@reexport using .SpectralUnits
 
 include("print-utilities.jl")
 
 include("fitparam.jl")
+include("param-cache.jl")
 include("abstract-models.jl")
 
 include("ccall-wrapper.jl")
@@ -66,6 +69,7 @@ include("model-data-io.jl")
 include("fitting/result.jl")
 include("fitting/cache.jl")
 include("fitting/problem.jl")
+include("fitting/binding.jl")
 include("fitting/multi-cache.jl")
 include("fitting/methods.jl")
 include("fitting/statistics.jl")

diff --git a/src/abstract-models.jl b/src/abstract-models.jl
@@ -17,9 +17,8 @@ export AbstractSpectralModel,
     invokemodel!,
     objective_cache_count,
     modelparameters,
-    freeparameters,
-    frozenparameters,
-    updateparameters!
+    updateparameters!,
+    make_parameter_cache
 
 """
     abstract type AbstractSpectralModel{T,K}
@@ -57,7 +56,7 @@ abstract type AbstractSpectralModelKind end
 
 Additive models are effectively the sources of photons, and are the principle building blocks
 of composite models. Every additive model has a normalisation parameter which re-scales the
-flux by a constant factor `K`.
+output by a constant factor `K`.
 
 !!! note
     Defining custom additive models requires special care. See [Defining new models](@ref).
@@ -68,15 +67,15 @@ struct Additive <: AbstractSpectralModelKind end
     Multiplicative()
 
 Multiplicative models act on [`Additive`](@ref) models, by element-wise
-multiplying the flux in each energy bin of the additive model by a different factor.
+multiplying the output in each energy bin of the additive model by a different factor.
 """
 struct Multiplicative <: AbstractSpectralModelKind end
 """
     Convolutional <: AbstractSpectralModelKind
     Convolutional()
 
-Convolutional models act on the flux generated by [`Additive`](@ref) models, similar to
-[`Multiplicative`](@ref) models, however may convolve kernels through the flux also.
+Convolutional models act on the output generated by [`Additive`](@ref) models, similar to
+[`Multiplicative`](@ref) models, however may convolve kernels through the output also.
 """
 struct Convolutional <: AbstractSpectralModelKind end
 
@@ -125,10 +124,10 @@ ConstructionBase.constructorof(::Type{M}) where {M<:AbstractSpectralModel} = M
 # never to be called directly
 # favour `invokemodel!` instead
 """
-    SpectralFitting.invoke!(flux, energy, M::Type{<:AbstractSpectralModel}, params...)
+    SpectralFitting.invoke!(output, energy, M::Type{<:AbstractSpectralModel}, params...)
 
-Used to define the behaviour of models. Should calculate flux of the model and write in-place
-into `flux`.
+Used to define the behaviour of models. Should calculate output of the model and write in-place
+into `output`.
 
 !!! warning
     This function should not be called directly. Use [`invokemodel`](@ref) instead.
@@ -144,15 +143,15 @@ end
 ```
 would have the arguments passed to `invoke!` as
 ```julia
-function SpectralFitting.invoke!(flux, energy, ::Type{<:MyModel}, p1, p2, p3, ...)
+function SpectralFitting.invoke!(output, energy, ::Type{<:MyModel}, p1, p2, p3, ...)
     # ...
 end
 ```
 
 The only exception to this are [`Additive`](@ref) models, where the normalisation parameter
 `K` is not passed to `invoke!`.
 """
-invoke!(flux, energy, M::AbstractSpectralModel) = error("Not defined for $(M).")
+invoke!(output, energy, M::AbstractSpectralModel) = error("Not defined for $(M).")
 
 """
     invokemodel(energy, model)
@@ -169,7 +168,7 @@ any normalisation or post-processing tasks that a specific model kind may requir
     Users should always call models using [`invokemodel`](@ref) or [`invokemodel!`](@ref) to ensure
     normalisations and closures are accounted for.
 
-`invokemodel` allocates the needed flux arrays based on the element type of `free_params` to allow
+`invokemodel` allocates the needed output arrays based on the element type of `free_params` to allow
 automatic differentation libraries to calculate parameter gradients.
 
 In-place non-allocating variants are the [`invokemodel!`](@ref) functions.
@@ -186,29 +185,23 @@ invokemodel(energy, model, p0)
 ```
 """
 function invokemodel(e, m::AbstractSpectralModel)
-    flux = construct_objective_cache(m, e) |> vec
-    invokemodel!(flux, e, m)
-    flux
-end
-function invokemodel(e, m::AbstractSpectralModel, free_params)
-    model = remake_with_free(m, free_params)
-    flux = construct_objective_cache(eltype(free_params), m, e) |> vec
-    invokemodel!(flux, e, model)
-    flux
+    output = construct_objective_cache(m, e) |> vec
+    invokemodel!(output, e, m)
+    output
 end
 
 """
-    invokemodel!(flux, energy, model)
-    invokemodel!(flux, energy, model, free_params)
-    invokemodel!(flux, energy, model, free_params, frozen_params)
+    invokemodel!(output, energy, model)
+    invokemodel!(output, energy, model, free_params)
+    invokemodel!(output, energy, model, free_params, frozen_params)
 
-In-place variant of [`invokemodel`](@ref), calculating the flux of an [`AbstractSpectralModel`](@ref)
+In-place variant of [`invokemodel`](@ref), calculating the output of an [`AbstractSpectralModel`](@ref)
 given by `model`, optionally overriding the free and/or frozen parameter values. These arguments
 may be a vector or tuple with element type [`FitParam`](@ref) or `Number`.
 
 The number of fluxes to allocate for a model may change if using any [`CompositeModel`](@ref)
 as the `model`. It is generally recommended to use [`objective_cache_count`](@ref) to ensure the correct number
-of flux arrays are allocated with [`construct_objective_cache`](@ref) when using composite models.
+of output arrays are allocated with [`construct_objective_cache`](@ref) when using composite models.
 
 Single spectral model components should use [`make_flux`](@ref) instead.
 
@@ -217,23 +210,26 @@ Single spectral model components should use [`make_flux`](@ref) instead.
 ```julia
 model = XS_PowerLaw()
 energy = collect(range(0.1, 20.0, 100))
-flux = make_flux(model, energy)
-invokemodel!(flux, energy, model)
+output = make_flux(model, energy)
+invokemodel!(output, energy, model)
 
 p0 = [0.1, 2.0] # change K and a
-invokemodel!(flux, energy, model, p0)
 ```
 """
-@inline function invokemodel!(f, e, m::AbstractSpectralModel, free_params)
-    # update only the free parameters
-    model = remake_with_free(m, free_params)
-    invokemodel!(view(f, :, 1), e, model)
-end
+
 @inline function invokemodel!(f, e, m::AbstractSpectralModel{<:FitParam})
     # need to extract the parameter values
     model = remake_with_number_type(m)
     invokemodel!(view(f, :, 1), e, model)
 end
+@inline function invokemodel!(f, e, m::AbstractSpectralModel, cache::ParameterCache)
+    invokemodel!(f, e, m, cache.parameters)
+end
+@inline function invokemodel!(f, e, m::AbstractSpectralModel, parameters::AbstractArray)
+    invokemodel!(view(f, :, 1), e, remake_with_parameters(m, parameters))
+end
+
 invokemodel!(
     f::AbstractVector,
     e::AbstractVector,
@@ -284,32 +280,21 @@ end
 
 modelparameters(model::AbstractSpectralModel{T}) where {T} =
     T[model_parameters_tuple(model)...]
-freeparameters(model::AbstractSpectralModel{T}) where {T} =
-    T[free_parameters_tuple(model)...]
-frozenparameters(model::AbstractSpectralModel{T}) where {T} =
-    T[frozen_parameters_tuple(model)...]
 
 # todo: this function could be cleaned up with some generated hackery 
 function remake_with_number_type(model::AbstractSpectralModel{P}, T::Type) where {P}
     M = typeof(model).name.wrapper
-    params = modelparameters(model)
+    params = model_parameters_tuple(model)
     new_params = if P <: FitParam
         convert.(T, get_value.(params))
     else
         convert.(T, param)
     end
-    M{T,FreeParameters{free_parameter_symbols(model)}}(new_params...)
+    M{T}(new_params...)
 end
 remake_with_number_type(model::AbstractSpectralModel{FitParam{T}}) where {T} =
     remake_with_number_type(model, T)
 
-remake_with_free(
-    model::AbstractSpectralModel{T},
-    free_params::AbstractVector{T},
-) where {T<:Number} = updatefree(model, free_params)
-remake_with_free(model::AbstractSpectralModel, free_params) =
-    updatefree(remake_with_number_type(model, eltype(free_params)), free_params)
-
 """
     updatemodel(model::AbstractSpectralModel; kwargs...)
     updatemodel(model::AbstractSpectralModel, patch::NamedTuple)
@@ -357,3 +342,29 @@ function updateparameters!(model::AbstractSpectralModel{<:FitParam}; params...)
     end
     model
 end
+
+_allocate_free_parameters(model::AbstractSpectralModel) =
+    filter(isfree, modelparameters(model))
+
+function make_parameter_cache(model::AbstractSpectralModel)
+    parameters = modelparameters(model)
+    ParameterCache(parameters)
+end
+
+function make_diff_parameter_cache(
+    model::AbstractSpectralModel;
+    param_diff_cache_size = nothing,
+)
+    parameters = modelparameters(model)
+    free_mask = _make_free_mask(parameters)
+
+    vals = map(get_value, parameters)
+    N = isnothing(param_diff_cache_size) ? length(vals) : param_diff_cache_size
+    diffcache = DiffCache(vals, ForwardDiff.pickchunksize(N))
+
+    # embed current parameter values inside of the dual cache
+    # else all frozens will be zero
+    get_tmp(diffcache, ForwardDiff.Dual(1.0)) .= vals
+
+    ParameterCache(free_mask, diffcache)
+end
diff --git a/src/ccall-wrapper.jl b/src/ccall-wrapper.jl
@@ -121,7 +121,7 @@ If the callsite is not specified, the user must implement [`_unsafe_ffi_invoke!`
 # Examples
 
 ```julia
-@xspecmodel :C_powerlaw struct XS_PowerLaw{T,F} <: AbstractSpectralModel{T, Additive}
+@xspecmodel :C_powerlaw struct XS_PowerLaw{T} <: AbstractSpectralModel{T, Additive}
     "Normalisation."
     K::T
     "Photon index."
@@ -130,7 +130,7 @@ end
 
 # constructor has default values
 function XS_PowerLaw(; K = FitParam(1.0), a = FitParam(1.0))
-    XS_PowerLaw{typeof(K), SpectralFitting.FreeParameters{(:K, :a)}}(K, a)
+    XS_PowerLaw{typeof(K)}(K, a)
 end
 ```
 

diff --git a/src/composite-models.jl b/src/composite-models.jl
@@ -101,37 +101,22 @@ function closurekind(::Type{<:CompositeModel{M1,M2}}) where {M1,M2}
 end
 
 # invocation wrappers
+function invokemodel(e, m::CompositeModel)
+    fluxes = construct_objective_cache(m, e)
+    invokemodel!(fluxes, e, m)
+    view(fluxes, :, 1)
+end
+
 function invokemodel!(f, e, model::CompositeModel)
     @assert size(f, 2) == objective_cache_count(model) "Too few flux arrays allocated for this model."
     generated_model_call!(f, e, model, model_parameters_tuple(model))
 end
-function invokemodel!(f, e, model::CompositeModel, free_params, frozen_params)
-    @assert size(f, 2) == objective_cache_count(model) "Too few flux arrays allocated for this model."
-    generated_model_call!(f, e, model, free_params, frozen_params)
-end
-function invokemodel!(f, e, model::CompositeModel, free_params)
+
+function invokemodel!(f, e, model::CompositeModel, parameters::AbstractArray)
     @assert size(f, 2) == objective_cache_count(model) "Too few flux arrays allocated for this model."
-    frozen_params = convert.(eltype(free_params), frozenparameters(model))
-    invokemodel!(f, e, model, free_params, frozen_params)
+    generated_model_call!(f, e, model, parameters)
 end
 
-function invokemodel(e, m::CompositeModel)
-    fluxes = construct_objective_cache(m, e)
-    invokemodel!(fluxes, e, m)
-    view(fluxes, :, 1)
-end
-function invokemodel(e, m::CompositeModel, free_params)
-    if eltype(free_params) <: Number
-        # for compatability with AD
-        fluxes = construct_objective_cache(eltype(free_params), m, e)
-        invokemodel!(fluxes, e, m, free_params)
-    else
-        p0 = get_value.(free_params)
-        fluxes = construct_objective_cache(eltype(p0), m, e)
-        invokemodel!(fluxes, e, m, p0)
-    end
-    view(fluxes, :, 1)
-end
 
 # algebra grammar
 add_models(_, _, ::M1, ::M2) where {M1,M2} =
@@ -159,7 +144,7 @@ conv_models(m1::M1, m2::M2) where {M1,M2} =
 
 function Base.show(io::IO, @nospecialize(model::CompositeModel))
     expr, infos = _destructure_for_printing(model)
-    for (symbol, (m, _, _)) in zip(keys(infos), infos)
+    for (symbol, (m, _)) in zip(keys(infos), infos)
         expr =
             replace(expr, "$(symbol)" => "$(FunctionGeneration.model_base_name(typeof(m)))")
     end
@@ -221,11 +206,11 @@ function _printinfo(io::IO, model::CompositeModel{M1,M2}) where {M1,M2}
 
     println(io, "Model key and parameters:")
     sym_buffer = 5
-    param_name_offset = sym_buffer + maximum(infos) do (_, syms, _)
+    param_name_offset = sym_buffer + maximum(infos) do (_, syms)
         maximum(length(s) for s in syms)
     end
     buff = IOBuffer()
-    for (symbol, (m, param_symbols, states)) in zip(keys(infos), infos)
+    for (symbol, (m, param_symbols)) in zip(keys(infos), infos)
         M = typeof(m)
         basename = FunctionGeneration.model_base_name(M)
         println(
@@ -239,7 +224,8 @@ function _printinfo(io::IO, model::CompositeModel{M1,M2}) where {M1,M2}
             Crayons.Crayon(reset = true),
         )
 
-        for (val, s::String, free::Bool) in zip(modelparameters(m), param_symbols, states)
+        for (val, s::String) in zip(modelparameters(m), param_symbols)
+            free = !isfrozen(val)
             _print_param(buff, free, s, val, param_name_offset, q1, q2, q3, q4)
         end
     end
@@ -255,5 +241,24 @@ ConstructionBase.setproperties(::CompositeModel, ::NamedTuple) =
 ConstructionBase.constructorof(::Type{<:CompositeModel}) =
     throw("Cannot be used with `CompositeModel`.")
 
+function Base.propertynames(model::CompositeModel, private::Bool = false)
+    all_parameter_symbols(model)
+end
+
+function Base.getproperty(model::CompositeModel, symb::Symbol)
+    lookup = all_parameters_to_named_tuple(model)
+    lookup[symb]
+end
+
+function Base.setproperty!(model::CompositeModel, symb::Symbol, value::FitParam)
+    set!(getproperty(model, symb), value)
+end
+
+function Base.setproperty!(model::CompositeModel, symb::Symbol, x)
+    error(
+        "Only `FitParam` may be directly set with another `FitParam`. Use `set_value!` and related API otherwise.",
+    )
+end
+
 # function ConstructionBase.setproperties(m::CompositeModel, patch::NamedTuple)
 # end
diff --git a/src/datasets/response.jl b/src/datasets/response.jl
@@ -50,27 +50,6 @@ function normalise_rows!(matrix)
     end
 end
 
-function build_response_matrix!(
-    R,
-    f_chan::Matrix,
-    n_chan::Matrix,
-    matrix_rows::Vector,
-    first_channel,
-)
-    for (i, (F, N)) in enumerate(zip(eachcol(f_chan), eachcol(n_chan)))
-        M = matrix_rows
-        index = 1
-        for (first, len) in zip(F, N)
-            if len == 0
-                break
-            end
-            first -= first_channel
-            @views R[first+1:first+len, i] .= M[index:index+len-1]
-            index += len
-        end
-    end
-end
-
 function Base.show(
     io::IO,
     ::MIME{Symbol("text/plain")},