Skip to content
GitLab
Projects
Groups
Snippets
/
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
Menu
Open sidebar
Oleksii Turkot
CrystFEL
Commits
997b02db
Commit
997b02db
authored
Jun 05, 2010
by
Thomas White
Browse files
pattern_sim: Specify filename for powder pattern on the command line
parent
f5eb7d15
Changes
1
Hide whitespace changes
Inline
Side-by-side
src/pattern_sim.c
View file @
997b02db
...
...
@@ -59,8 +59,8 @@ static void show_help(const char *s)
" files produced are sim-1.h5, sim-2.h5 and so on.
\n
"
" -r, --random-orientation Use a randomly generated orientation
\n
"
" (a new orientation will be used for each image).
\n
"
" --powder
Write a summed pattern of all images simulated by
\n
"
" this invocation
to results/integr.h5
.
\n
"
" --powder
=<file>
Write a summed pattern of all images simulated by
\n
"
" this invocation
as the given filename
.
\n
"
" -i, --intensities=<file> Specify file containing reflection intensities
\n
"
" (and phases) to use.
\n
"
" -g, --gradients=<method> Use <method> for the calculation of shape
\n
"
...
...
@@ -183,7 +183,7 @@ int main(int argc, char *argv[])
int
config_nonoise
=
0
;
int
config_nosfac
=
0
;
int
config_gpu
=
0
;
int
config_powder
=
0
;
char
*
powder_fn
=
NULL
;
char
*
filename
=
NULL
;
char
*
grad_str
=
NULL
;
char
*
outfile
=
NULL
;
...
...
@@ -207,7 +207,7 @@ int main(int argc, char *argv[])
{
"no-water"
,
0
,
&
config_nowater
,
1
},
{
"no-noise"
,
0
,
&
config_nonoise
,
1
},
{
"intensities"
,
1
,
NULL
,
'i'
},
{
"powder"
,
0
,
&
config_powder
,
1
},
{
"powder"
,
1
,
NULL
,
'w'
},
{
"gradients"
,
1
,
NULL
,
'g'
},
{
"pdb"
,
1
,
NULL
,
'p'
},
{
"output"
,
1
,
NULL
,
'o'
},
...
...
@@ -253,6 +253,11 @@ int main(int argc, char *argv[])
break
;
}
case
'w'
:
{
powder_fn
=
strdup
(
optarg
);
break
;
}
case
0
:
{
break
;
}
...
...
@@ -403,7 +408,7 @@ int main(int argc, char *argv[])
output_intensities
(
&
image
,
cell
,
NULL
,
1
);
}
if
(
config_powder
)
{
if
(
powder_fn
!=
NULL
)
{
int
x
,
y
,
w
;
...
...
@@ -416,7 +421,7 @@ int main(int argc, char *argv[])
}
if
(
!
(
ndone
%
10
)
)
{
hdf5_write
(
"results/integr.h5"
,
powder
,
hdf5_write
(
powder_fn
,
powder
,
image
.
width
,
image
.
height
,
H5T_NATIVE_DOUBLE
);
}
...
...
Write
Preview
Supports
Markdown
0%
Try again
or
attach a new file
.
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment