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Oleksii Turkot
CrystFEL
Commits
8af55d28
Commit
8af55d28
authored
Mar 23, 2011
by
Thomas White
Browse files
Use calculated max wavelength for calculating number of possible reflections
parent
257838df
Changes
1
Hide whitespace changes
Inline
Side-by-side
src/check_hkl.c
View file @
8af55d28
...
...
@@ -72,6 +72,10 @@ static void plot_shells(RefList *list, UnitCell *cell, const char *sym,
int
nout
=
0
;
Reflection
*
refl
;
RefListIterator
*
iter
;
int
hmax
,
kmax
,
lmax
;
double
asx
,
asy
,
asz
;
double
bsx
,
bsy
,
bsz
;
double
csx
,
csy
,
csz
;
if
(
cell
==
NULL
)
{
ERROR
(
"Need the unit cell to plot resolution shells.
\n
"
);
...
...
@@ -151,9 +155,15 @@ static void plot_shells(RefList *list, UnitCell *cell, const char *sym,
/* Count the number of reflections possible in each shell */
counted
=
new_list_count
();
for
(
h
=-
150
;
h
<=+
150
;
h
++
)
{
for
(
k
=-
150
;
k
<=+
150
;
k
++
)
{
for
(
l
=-
150
;
l
<=+
150
;
l
++
)
{
cell_get_reciprocal
(
cell
,
&
asx
,
&
asy
,
&
asz
,
&
bsx
,
&
bsy
,
&
bsz
,
&
csx
,
&
csy
,
&
csz
);
hmax
=
rmax
/
modulus
(
asx
,
asy
,
asz
);
kmax
=
rmax
/
modulus
(
bsx
,
bsy
,
bsz
);
lmax
=
rmax
/
modulus
(
csx
,
csy
,
csz
);
for
(
h
=-
hmax
;
h
<
hmax
;
h
++
)
{
for
(
k
=-
kmax
;
k
<
kmax
;
k
++
)
{
for
(
l
=-
lmax
;
l
<
lmax
;
l
++
)
{
double
d
;
signed
int
hs
,
ks
,
ls
;
...
...
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