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module Crystals
import ..CrystFEL: libcrystfel
import ..CrystFEL.RefLists: RefList, InternalRefList, UnmergedReflection
import ..CrystFEL.UnitCells: UnitCell, InternalUnitCell
export Crystal, InternalCrystal
# Represents the real C-side (opaque) structure.
mutable struct InternalCrystal end
mutable struct Crystal
internalptr::Ptr{InternalCrystal}
in_image # if true, this PeakList belongs to an Image struct
end
function Crystal(cell::UnitCell; profileradius=2e6, mosaicity=0)
out = ccall((:crystal_new, libcrystfel),
Ptr{InternalCrystal}, ())
if out == C_NULL
throw(ArgumentError("Failed to create crystal"))
end
# We make a copy of the cell, to avoid memory model shenanigans
uccopy = ccall((:cell_new_from_cell, libcrystfel),
Ptr{InternalUnitCell}, (Ptr{InternalUnitCell},),
cell.internalptr)
ccall((:crystal_set_cell, libcrystfel),
Cvoid, (Ptr{InternalCrystal},Ptr{InternalUnitCell}),
out, uccopy)
ccall((:crystal_set_profile_radius, libcrystfel),
Cvoid, (Ptr{InternalCrystal},Cdouble),
out, profileradius)
ccall((:crystal_set_mosaicity, libcrystfel),
Cvoid, (Ptr{InternalCrystal},Cdouble),
out, mosaicity)
cr = Crystal(out, false)
finalizer(cr) do x
if !x.in_image
ccall((:crystal_free, libcrystfel), Cvoid, (Ptr{InternalCrystal},),
x.internalptr)
end
end
return cr
end
function Base.setproperty!(cr::Crystal, name::Symbol, val)
if name === :internalptr
setfield!(cr, :internalptr, val)
else
if name === :reflections
if val isa RefList{UnmergedReflection}
ccall((:crystal_set_reflections, libcrystfel),
Cvoid, (Ptr{InternalCrystal},Ptr{InternalRefList}),
cr.internalptr, val.internalptr)
else
throw(ArgumentError("Must be a RefList{UnmergedReflection}"))
end
end
end
end
end # of module
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