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authorThomas White <taw@physics.org>2011-11-18 16:36:43 +0100
committerThomas White <taw@physics.org>2012-02-22 15:27:41 +0100
commitbd640fa2bbb6bbb219e8dbcdaf88df093cac5c8a (patch)
tree002c2a6d1d5c010f2c6c74975060a5914eee434b /src/render_hkl.c
parentd5ddfec8d79c9fc829a32cdf51082f626d3184bb (diff)
Stuff related to calculating anomalous structure factors
Diffstat (limited to 'src/render_hkl.c')
-rw-r--r--src/render_hkl.c44
1 files changed, 21 insertions, 23 deletions
diff --git a/src/render_hkl.c b/src/render_hkl.c
index b37cc00b..4c37c005 100644
--- a/src/render_hkl.c
+++ b/src/render_hkl.c
@@ -559,9 +559,9 @@ int main(int argc, char *argv[])
UnitCell *cell;
RefList *list;
char *infile;
- int config_zoneaxis = 0;
int config_sqrt = 0;
int config_colkey = 0;
+ int config_zawhinge = 0;
unsigned int nproc = 1;
char *pdb = NULL;
int r = 0;
@@ -583,7 +583,7 @@ int main(int argc, char *argv[])
/* Long options */
const struct option longopts[] = {
{"help", 0, NULL, 'h'},
- {"zone-axis", 0, &config_zoneaxis, 1},
+ {"zone-axis", 0, &config_zawhinge, 1},
{"output", 1, NULL, 'o'},
{"pdb", 1, NULL, 'p'},
{"boost", 1, NULL, 'b'},
@@ -667,7 +667,7 @@ int main(int argc, char *argv[])
}
- if ( config_zoneaxis ) {
+ if ( config_zawhinge ) {
ERROR("Friendly warning: The --zone-axis option isn't needed"
" any longer (I ignored it for you).\n");
}
@@ -733,28 +733,26 @@ int main(int argc, char *argv[])
return render_key(colscale, scale_top);
}
- if ( config_zoneaxis ) {
- if ( (( down == NULL ) && ( right != NULL ))
- || (( down != NULL ) && ( right == NULL )) ) {
- ERROR("Either specify both 'down' and 'right',"
- " or neither.\n");
+ if ( (( down == NULL ) && ( right != NULL ))
+ || (( down != NULL ) && ( right == NULL )) ) {
+ ERROR("Either specify both 'down' and 'right',"
+ " or neither.\n");
+ return 1;
+ }
+ if ( down != NULL ) {
+ int r;
+ r = sscanf(down, "%i,%i,%i", &dh, &dk, &dl);
+ if ( r != 3 ) {
+ ERROR("Invalid format for 'down'\n");
return 1;
}
- if ( down != NULL ) {
- int r;
- r = sscanf(down, "%i,%i,%i", &dh, &dk, &dl);
- if ( r != 3 ) {
- ERROR("Invalid format for 'down'\n");
- return 1;
- }
- }
- if ( right != NULL ) {
- int r;
- r = sscanf(right, "%i,%i,%i", &rh, &rk, &rl);
- if ( r != 3 ) {
- ERROR("Invalid format for 'right'\n");
- return 1;
- }
+ }
+ if ( right != NULL ) {
+ int r;
+ r = sscanf(right, "%i,%i,%i", &rh, &rk, &rl);
+ if ( r != 3 ) {
+ ERROR("Invalid format for 'right'\n");
+ return 1;
}
}