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Oleksii Turkot
CrystFEL
Commits
17a2f23b
Commit
17a2f23b
authored
Oct 15, 2010
by
Thomas White
Browse files
compare_hkl: Configuration
parent
c3d72232
Changes
1
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Inline
Side-by-side
src/compare_hkl.c
View file @
17a2f23b
...
...
@@ -168,7 +168,7 @@ static void plot_shells(const double *ref1, const double *ref2,
int
bin
;
/* FIXME: Reflection condition */
//
if ( (h==0) && (k==0) && (l%2) ) continue;
if
(
(
h
==
0
)
&&
(
k
==
0
)
&&
(
l
%
2
)
)
continue
;
get_asymm
(
h
,
k
,
l
,
&
hs
,
&
ks
,
&
ls
,
sym
);
if
(
lookup_count
(
counted
,
hs
,
ks
,
ls
)
)
continue
;
...
...
@@ -205,7 +205,7 @@ static void plot_shells(const double *ref1, const double *ref2,
h
=
it
->
h
;
k
=
it
->
k
;
l
=
it
->
l
;
/* FIXME: Reflection condition */
//
if ( (h==0) && (k==0) && (l%2) ) continue;
if
(
(
h
==
0
)
&&
(
k
==
0
)
&&
(
l
%
2
)
)
continue
;
d
=
resolution
(
cell
,
h
,
k
,
l
)
*
2
.
0
;
...
...
@@ -241,7 +241,7 @@ static void plot_shells(const double *ref1, const double *ref2,
h
=
it
->
h
;
k
=
it
->
k
;
l
=
it
->
l
;
/* FIXME: Reflection condition */
//
if ( (h==0) && (k==0) && (l%2) ) continue;
if
(
(
h
==
0
)
&&
(
k
==
0
)
&&
(
l
%
2
)
)
continue
;
d
=
resolution
(
cell
,
h
,
k
,
l
)
*
2
.
0
;
...
...
@@ -259,15 +259,15 @@ static void plot_shells(const double *ref1, const double *ref2,
}
i1
=
lookup_intensity
(
ref1
,
h
,
k
,
l
);
if
(
i1
<
0
.
0
)
continue
;
f1
=
sqrt
(
i1
);
//
if ( i1 < 0.0 ) continue;
//
f1 = sqrt(i1);
i2
=
lookup_intensity
(
ref2
,
h
,
k
,
l
);
if
(
i2
<
0
.
0
)
continue
;
f2
=
sqrt
(
i2
);
f
2
*=
scale
;
//
if ( i2 < 0.0 ) continue;
//
f2 = sqrt(i2);
i
2
*=
scale
;
num
[
bin
]
+=
fabs
(
f
1
-
f
2
);
den
+=
(
f1
+
f
2
)
/
2
.
0
;
num
[
bin
]
+=
fabs
(
i
1
-
i
2
);
den
+=
i1
;
//
+
i
2) / 2.0;
ctot
++
;
cts
[
bin
]
++
;
...
...
@@ -485,8 +485,8 @@ int main(int argc, char *argv[])
pearson
);
if
(
config_shells
)
{
plot_shells
(
ref1
,
ref2_transformed
,
icommon
,
scale_r
dig
,
cell
,
sym
,
i1
,
cts1
);
plot_shells
(
ref1
,
ref2_transformed
,
icommon
,
scale_r
1i
,
cell
,
sym
,
i1
,
cts1
);
}
if
(
outfile
!=
NULL
)
{
...
...
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