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authorThomas White <taw@bitwiz.org.uk>2012-07-30 20:42:56 -0700
committerThomas White <taw@bitwiz.org.uk>2012-07-30 20:42:56 -0700
commit80d7f1b7c216e9e2c9460525420267bb33e364ec (patch)
tree1e077e8905a53267fea4a9e5dd1c478daa342e5c /src/get_hkl.c
parent0b262aa61f587b69fd46c95841342886580f4946 (diff)
get_hkl: Trap a few edge cases
Diffstat (limited to 'src/get_hkl.c')
-rw-r--r--src/get_hkl.c17
1 files changed, 13 insertions, 4 deletions
diff --git a/src/get_hkl.c b/src/get_hkl.c
index de5d74de..e298680d 100644
--- a/src/get_hkl.c
+++ b/src/get_hkl.c
@@ -357,9 +357,9 @@ int main(int argc, char *argv[])
char *holo_str = NULL;
char *mero_str = NULL;
char *expand_str = NULL;
- SymOpList *holo;
- SymOpList *mero;
- SymOpList *expand;
+ SymOpList *holo = NULL;
+ SymOpList *mero = NULL;
+ SymOpList *expand = NULL;
char *input_file = NULL;
char *template = NULL;
char *output = NULL;
@@ -469,6 +469,13 @@ int main(int argc, char *argv[])
expand = NULL;
}
+ if ( (expand != NULL) || (holo != NULL) || config_trimc
+ || config_multi ) {
+ if ( mero == NULL ) {
+ ERROR("You must specify the point group with -y.\n");
+ }
+ }
+
input = read_reflections(input_file);
if ( input == NULL ) {
ERROR("Problem reading input file %s\n", input_file);
@@ -478,7 +485,9 @@ int main(int argc, char *argv[])
STATUS("%i reflections in input.\n", num_reflections(input));
- if ( !config_trimc && check_list_symmetry(input, mero) ) {
+ if ( (mero != NULL) && !config_trimc
+ && check_list_symmetry(input, mero) )
+ {
ERROR("The input reflection list does not appear to"
" have symmetry %s\n", symmetry_name(mero));
return 1;