Skip to content
GitLab
Menu
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
7de85e89
Commit
7de85e89
authored
Mar 05, 2012
by
Thomas White
Browse files
process_hkl: Remove PDB input, also not used for anything useful
parent
b965a24d
Changes
1
Hide whitespace changes
Inline
Side-by-side
src/process_hkl.c
View file @
7de85e89
...
...
@@ -55,7 +55,6 @@ static void show_help(const char *s)
" -i, --input=<filename> Specify input filename (
\"
-
\"
for stdin).
\n
"
" -o, --output=<filename> Specify output filename for merged intensities
\n
"
" Default: processed.hkl).
\n
"
" -p, --pdb=<filename> PDB file to use (default: molecule.pdb).
\n
"
"
\n
"
" --max-only Take the integrated intensity to be equal to the
\n
"
" maximum intensity measured for that reflection.
\n
"
...
...
@@ -426,7 +425,6 @@ int main(int argc, char *argv[])
char
*
output
=
NULL
;
FILE
*
fh
;
RefList
*
model
;
UnitCell
*
cell
=
NULL
;
int
config_maxonly
=
0
;
int
config_startafter
=
0
;
int
config_stopafter
=
0
;
...
...
@@ -457,7 +455,6 @@ int main(int argc, char *argv[])
{
"sum"
,
0
,
&
config_sum
,
1
},
{
"scale"
,
0
,
&
config_scale
,
1
},
{
"symmetry"
,
1
,
NULL
,
'y'
},
{
"pdb"
,
1
,
NULL
,
'p'
},
{
"histogram"
,
1
,
NULL
,
'g'
},
{
"hist-parameters"
,
1
,
NULL
,
'z'
},
{
0
,
0
,
NULL
,
0
}
...
...
@@ -522,17 +519,6 @@ int main(int argc, char *argv[])
output
=
strdup
(
"processed.hkl"
);
}
if
(
pdb
!=
NULL
)
{
cell
=
load_cell_from_pdb
(
pdb
);
if
(
cell
==
NULL
)
{
ERROR
(
"Failed to load cell from '%s'
\n
"
,
pdb
);
return
1
;
}
free
(
pdb
);
}
else
{
cell
=
NULL
;
}
if
(
sym_str
==
NULL
)
sym_str
=
strdup
(
"1"
);
sym
=
get_pointgroup
(
sym_str
);
free
(
sym_str
);
...
...
@@ -633,14 +619,13 @@ int main(int argc, char *argv[])
hist_nbins
);
}
write_reflist
(
output
,
model
,
cell
);
write_reflist
(
output
,
model
,
NULL
);
fclose
(
fh
);
free
(
sym
);
reflist_free
(
model
);
free
(
output
);
if
(
cell
!=
NULL
)
cell_free
(
cell
);
return
0
;
}
Write
Preview
Supports
Markdown
0%
Try again
or
attach a new file
.
Attach a 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