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using CrystFEL
dtempl = loaddatatemplate("input.geom")
cell = UnitCell(OrthorhombicLattice, PrimitiveCell, 40.0, 50.0, 60.0)
full = loadreflist("input.hkl")
let st = Stream("partials.stream", "w", dtempl)
for i in 1:10
println("Writing image ", i)
image = Image(dtempl)
image.serial = i
image.filename = "simulation_" * string(i)
image.ev = "//"
cr = Crystal(rotatecell(cell))
reflections = predictreflections(cr, image)
calculatepartialities!(reflections, cr, image, model=XSphereModel)
for refl in reflections
f = full[asymmetricindices(full.symmetry, refl.indices...)...]
if f !== nothing
refl.intensity = f.intensity * refl.partiality * refl.lorentzfactor
else
# No matching "full" intensity - can't do anything
# Reflections with zero measurements won't be written to file
refl.nmeasurements = 0
println("Not found: ", refl.indices)
end
end
push!(image, cr, reflections)
chunkwrite(st, image)
end
end
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