1 files changed, 121 insertions, 0 deletions
diff --git a/julia/CrystFEL/src/crystal.jl b/julia/CrystFEL/src/crystal.jl
new file mode 100644
index 00000000..f05f651f
--- /dev/null
+++ b/julia/CrystFEL/src/crystal.jl
@@ -0,0 +1,121 @@
+module Crystals
+
+using Printf
+
+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}
+    cell
+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, nothing)
+
+    finalizer(cr) do x
+        ccall((:crystal_free, libcrystfel), Cvoid, (Ptr{InternalCrystal},),
+              x.internalptr)
+    end
+
+    return cr
+end
+
+
+function Base.setproperty!(cr::Crystal, name::Symbol, val)
+    if name === :internalptr
+        setfield!(cr, :internalptr, val)
+    end
+end
+
+
+function getcell(cr)
+    out = @ccall libcrystfel.crystal_relinquish_cell(cr.internalptr::Ptr{InternalCrystal})::Ptr{InternalUnitCell}
+    if getfield(cr, :cell) === nothing || getfield(cr, :cell).internalptr != out
+        if out != C_NULL
+            setfield!(cr, :cell, UnitCell(out))
+        else
+            setfield!(cr, :cell, nothing)
+        end
+    end
+    return getfield(cr, :cell)
+end
+
+
+function Base.getproperty(cr::Crystal, name::Symbol)
+    if name === :internalptr
+        getfield(cr, :internalptr)
+    elseif name === :cell
+        return getcell(cr)
+    elseif name === :Bfac
+        return @ccall libcrystfel.crystal_get_Bfac(cr.internalptr::Ptr{InternalCrystal})::Cdouble
+    elseif name === :osf
+        return @ccall libcrystfel.crystal_get_osf(cr.internalptr::Ptr{InternalCrystal})::Cdouble
+    elseif name === :mos
+        return @ccall libcrystfel.crystal_get_mosaicity(cr.internalptr::Ptr{InternalCrystal})::Cdouble
+    elseif name === :r
+        return @ccall libcrystfel.crystal_get_profile_radius(cr.internalptr::Ptr{InternalCrystal})::Cdouble
+    elseif name === :resolution
+        return @ccall libcrystfel.crystal_get_resolution_limit(cr.internalptr::Ptr{InternalCrystal})::Cdouble
+    elseif name === :flag
+        return @ccall libcrystfel.crystal_get_user_flag(cr.internalptr::Ptr{InternalCrystal})::Cint
+    else
+        throw(ErrorException("Type Crystal has no field "*String(name)))
+    end
+end
+
+
+function Base.show(io::IO, mime::MIME"text/plain", cr::Crystal)
+    @printf(io, "CrystFEL.Crystal(%p):\n\n", cr.internalptr)
+    if cr.cell !== nothing
+        show(io, cr.cell)
+        write(io, "\n\n")
+    else
+        write(io, "Unit cell parameters not set\n\n")
+    end
+    println(io, " Linear scale factor: ", cr.osf)
+    println(io, "  Debye-Walle factor: ", cr.Bfac)
+    println(io, "           Mosaicity: ", cr.mos)
+    println(io, "      Profile radius: ", cr.r/1e9, " nm⁻¹")
+    println(io, "    Resolution limit: ", cr.resolution)
+    println(io, "                Flag: ", cr.flag)
+end
+
+
+function Base.show(io::IO, cr::Crystal)
+    @printf(io, "CrystFEL.Crystal(%p)", cr.internalptr)
+end
+
+
+end   # of module