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Oleksii Turkot
CrystFEL
Commits
29d2a374
Commit
29d2a374
authored
Jun 30, 2010
by
Thomas White
Browse files
Trap invalid symmetries, and handle unspecified symmetry
parent
bb52ba8c
Changes
2
Hide whitespace changes
Inline
Side-by-side
src/process_hkl.c
View file @
29d2a374
...
...
@@ -338,6 +338,10 @@ int main(int argc, char *argv[])
pdb
=
strdup
(
"molecule.pdb"
);
}
if
(
sym
==
NULL
)
{
sym
=
strdup
(
"1"
);
}
model
=
new_list_intensity
();
model_counts
=
new_list_count
();
cell
=
load_cell_from_pdb
(
pdb
);
...
...
@@ -470,6 +474,7 @@ int main(int argc, char *argv[])
STATUS
(
"%i had no f0 valid value.
\n
"
,
n_nof0
);
delete_items
(
items
);
free
(
sym
);
return
0
;
}
src/symmetry.c
View file @
29d2a374
...
...
@@ -156,8 +156,8 @@ void get_equiv(signed int h, signed int k, signed int l,
/* TODO: Add more groups here */
/* Fallback for unrecognised groups */
*
he
=
h
;
*
ke
=
k
;
*
le
=
l
;
ERROR
(
"Unrecognised symmetry '%s'
\n
"
,
sym
);
abort
()
;
}
...
...
@@ -178,4 +178,5 @@ void get_asymm(signed int h, signed int k, signed int l,
/* Should never reach here */
ERROR
(
"No match found in %s for %i %i %i
\n
"
,
sym
,
h
,
k
,
l
);
abort
();
}
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