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Oleksii Turkot
CrystFEL
Commits
1f6fc155
Commit
1f6fc155
authored
Jul 28, 2011
by
Thomas White
Browse files
partial_sim: Add "-r" option for specifying the filename for the random intensities
parent
e953b109
Changes
1
Hide whitespace changes
Inline
Side-by-side
src/partial_sim.c
View file @
1f6fc155
...
...
@@ -120,14 +120,16 @@ static void show_help(const char *s)
" -h, --help Display this help message.
\n
"
"
\n
"
"You need to provide the following basic options:
\n
"
" -i, --input=<file> Read reflections from <file>.
\n
"
" -o, --output=<file> Write partials in stream format to <file>.
\n
"
" -g. --geometry=<file> Get detector geometry from file.
\n
"
" -b, --beam=<file> Get beam parameters from file
\n
"
" -p, --pdb=<file> PDB file from which to get the unit cell.
\n
"
" -i, --input=<file> Read reflections from <file>.
\n
"
" Default: generate random ones instead (see -r).
\n
"
" -o, --output=<file> Write partials in stream format to <file>.
\n
"
" -g. --geometry=<file> Get detector geometry from file.
\n
"
" -b, --beam=<file> Get beam parameters from file
\n
"
" -p, --pdb=<file> PDB file from which to get the unit cell.
\n
"
"
\n
"
" -y, --symmetry=<sym> Symmetry of the input reflection list.
\n
"
" -n <n> Simulate <n> patterns. Default: 2.
\n
"
" -y, --symmetry=<sym> Symmetry of the input reflection list.
\n
"
" -n <n> Simulate <n> patterns. Default: 2.
\n
"
" -r, --save-random=<file> Save randomly generated intensities to file.
\n
"
);
}
...
...
@@ -152,6 +154,7 @@ int main(int argc, char *argv[])
int
n
=
2
;
int
i
;
int
random_intensities
=
0
;
char
*
save_file
=
NULL
;
/* Long options */
const
struct
option
longopts
[]
=
{
...
...
@@ -162,11 +165,12 @@ int main(int argc, char *argv[])
{
"pdb"
,
1
,
NULL
,
'p'
},
{
"geometry"
,
1
,
NULL
,
'g'
},
{
"symmetry"
,
1
,
NULL
,
'y'
},
{
"save-random"
,
1
,
NULL
,
'r'
},
{
0
,
0
,
NULL
,
0
}
};
/* Short options */
while
((
c
=
getopt_long
(
argc
,
argv
,
"hi:o:b:p:g:y:n:"
,
while
((
c
=
getopt_long
(
argc
,
argv
,
"hi:o:b:p:g:y:n:
r:
"
,
longopts
,
NULL
))
!=
-
1
)
{
switch
(
c
)
{
...
...
@@ -202,13 +206,16 @@ int main(int argc, char *argv[])
n
=
atoi
(
optarg
);
break
;
case
'r'
:
save_file
=
strdup
(
optarg
);
break
;
case
0
:
break
;
default
:
return
1
;
}
}
/* Load beam */
...
...
@@ -251,6 +258,8 @@ int main(int argc, char *argv[])
sym
=
get_pointgroup
(
sym_str
);
free
(
sym_str
);
if
(
save_file
==
NULL
)
save_file
=
strdup
(
"partial_sim.hkl"
);
/* Load (full) reflections */
if
(
input_file
!=
NULL
)
{
...
...
@@ -336,8 +345,8 @@ int main(int argc, char *argv[])
}
if
(
random_intensities
)
{
STATUS
(
"Writing full intensities to
partial_sim.hkl
\n
"
);
write_reflist
(
"partial_sim.hkl"
,
full
,
cell
);
STATUS
(
"Writing full intensities to
%s
\n
"
,
save_file
);
write_reflist
(
save_file
,
full
,
cell
);
}
fclose
(
ofh
);
...
...
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