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Oleksii Turkot
CrystFEL
Commits
223118e5
Commit
223118e5
authored
Apr 29, 2011
by
Thomas White
Browse files
Refine against reciprocal space cell, not real space
parent
c4461bd5
Changes
2
Hide whitespace changes
Inline
Side-by-side
src/partial_sim.c
View file @
223118e5
...
...
@@ -38,9 +38,9 @@ static void mess_up_cell(UnitCell *cell)
double
bx
,
by
,
bz
;
double
cx
,
cy
,
cz
;
cell_get_
cartesian
(
cell
,
&
ax
,
&
ay
,
&
az
,
&
bx
,
&
by
,
&
bz
,
&
cx
,
&
cy
,
&
cz
);
cell_get_
reciprocal
(
cell
,
&
ax
,
&
ay
,
&
az
,
&
bx
,
&
by
,
&
bz
,
&
cx
,
&
cy
,
&
cz
);
ax
+=
0
.
00
8
*
ax
;
cell_set_
cartesian
(
cell
,
ax
,
ay
,
az
,
bx
,
by
,
bz
,
cx
,
cy
,
cz
);
cell_set_
reciprocal
(
cell
,
ax
,
ay
,
az
,
bx
,
by
,
bz
,
cx
,
cy
,
cz
);
}
...
...
src/post-refinement.c
View file @
223118e5
...
...
@@ -388,7 +388,7 @@ static void plot_curve(struct image *image, const RefList *full,
double
shval
,
origval
;
int
i
;
cell_get_
cartesian
(
cell
,
&
ax
,
&
ay
,
&
az
,
&
bx
,
&
by
,
&
bz
,
&
cx
,
&
cy
,
&
cz
);
cell_get_
reciprocal
(
cell
,
&
ax
,
&
ay
,
&
az
,
&
bx
,
&
by
,
&
bz
,
&
cx
,
&
cy
,
&
cz
);
shval
=
0
.
001
*
ax
;
origval
=
ax
;
...
...
@@ -396,10 +396,10 @@ static void plot_curve(struct image *image, const RefList *full,
double
dev
;
cell_get_
cartesian
(
cell
,
&
ax
,
&
ay
,
&
az
,
&
bx
,
cell_get_
reciprocal
(
cell
,
&
ax
,
&
ay
,
&
az
,
&
bx
,
&
by
,
&
bz
,
&
cx
,
&
cy
,
&
cz
);
ax
=
origval
+
(
double
)
i
*
shval
;
cell_set_
cartesian
(
cell
,
ax
,
ay
,
az
,
bx
,
by
,
bz
,
cx
,
cy
,
cz
);
cell_set_
reciprocal
(
cell
,
ax
,
ay
,
az
,
bx
,
by
,
bz
,
cx
,
cy
,
cz
);
update_partialities_and_asymm
(
image
,
sym
,
NULL
,
NULL
,
NULL
,
NULL
);
...
...
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