Julia: Expose partiality modelling

2 files changed, 30 insertions, 6 deletions

diff --git a/julia/CrystFEL/src/CrystFEL.jl b/julia/CrystFEL/src/CrystFEL.jl
index 431fb51e..1b1ee52b 100644
--- a/julia/CrystFEL/src/CrystFEL.jl
+++ b/julia/CrystFEL/src/CrystFEL.jl
@@ -67,7 +67,8 @@ export Image
 
 include("diffcalc.jl")
 using .DiffractionCalculations
-export predictreflections
+export predictreflections, calculatepartialities!
+export PartialityModel, UnityModel, XSphereModel, OffsetModel, RandomModel, GeneralGaussianModel
 
 include("indexing.jl")
 using .Indexing
diff --git a/julia/CrystFEL/src/diffcalc.jl b/julia/CrystFEL/src/diffcalc.jl
index d89376ce..1c6aea9c 100644
--- a/julia/CrystFEL/src/diffcalc.jl
+++ b/julia/CrystFEL/src/diffcalc.jl
@@ -5,17 +5,40 @@ import ..CrystFEL.Images: InternalImage, Image
 import ..CrystFEL.Crystals: InternalCrystal, Crystal
 import ..CrystFEL.RefLists: RefList, UnmergedReflection, InternalRefList
 import ..CrystFEL.Symmetry: SymOpList
-export predictreflections
+export predictreflections, calculatepartialities!
+export PartialityModel, UnityModel, XSphereModel, OffsetModel, RandomModel, GeneralGaussianModel
+
+
+"""
+Enumeration of the available partiality models.
+"""
+@enum PartialityModel begin
+    UnityModel
+    XSphereModel
+    OffsetModel
+    RandomModel
+    GeneralGaussianModel
+end
 
 
 function predictreflections(cr::Crystal, image::Image; maxres=1e10)
-    refls = ccall((:predict_to_res, libcrystfel),
-                  Ptr{InternalRefList},
-                  (Ptr{InternalCrystal}, Ptr{InternalImage}, Cdouble),
-                  cr.internalptr, image.internalptr, maxres)
+
+    refls = @ccall libcrystfel.predict_to_res(cr.internalptr::Ptr{InternalCrystal},
+                                              image.internalptr::Ptr{InternalImage},
+                                              maxres::Cdouble)::Ptr{InternalRefList}
     sym = SymOpList("1")
     return RefList{UnmergedReflection}(refls, sym)
 end
 
 
+function calculatepartialities!(reflist::RefList{UnmergedReflection},
+        cr::Crystal, image::Image; model=XSphereModel, maxres=1e10)
+
+    @ccall libcrystfel.calculate_partialities(reflist.internalptr::Ptr{InternalRefList},
+                                              cr.internalptr::Ptr{InternalCrystal},
+                                              image.internalptr::Ptr{InternalImage},
+                                              model::Cint)::Cvoid
+end
+
+
 end   # of module