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More harmonization
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dylan-jayatilaka committed Aug 6, 2023
1 parent b9c898b commit 8b8a8db
Showing 1 changed file with 30 additions and 30 deletions.
60 changes: 30 additions & 30 deletions foofiles/diffraction_data.foo
Original file line number Diff line number Diff line change
Expand Up @@ -295,36 +295,6 @@ contains

end

sort_reflections ::: leaky, private
! I sorted according toone data set that I saw.
self :: IN

ENSURE(.reflections.associated,"no reflection data")

n_refl,i, hc :: INT
hi,list,indx :: VEC{INT}@

n_refl = .reflections.n_refl

hi.create(3)
list.create(n_refl)
indx.create(n_refl)

! Sort according to H index code
# define CLUSTER_H_MAX 127
do i = 1,n_refl
hi = .reflections(i).indices
hc = CLUSTER_H_CODE(hi(3),hi(2),hi(1))
list(i) = hc
end
# define CLUSTER_H_MAX 7

indx.destroy
list.destroy
hi.destroy

end

set_refinement_data ::: pure
! Set the defaults internal variables for a refinement
self :: INOUT
Expand Down Expand Up @@ -817,6 +787,36 @@ contains

end

sort_reflections ::: leaky, private
! I sorted according toone data set that I saw.
self :: IN

ENSURE(.reflections.associated,"no reflection data")

n_refl,i, hc :: INT
hi,list,indx :: VEC{INT}@

n_refl = .reflections.n_refl

hi.create(3)
list.create(n_refl)
indx.create(n_refl)

! Sort according to H index code
# define CLUSTER_H_MAX 127
do i = 1,n_refl
hi = .reflections(i).indices
hc = CLUSTER_H_CODE(hi(3),hi(2),hi(1))
list(i) = hc
end
# define CLUSTER_H_MAX 7

indx.destroy
list.destroy
hi.destroy

end

! =======
! Inquiry
! =======
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