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authorThomas White <taw@physics.org>2014-09-19 16:07:24 +0200
committerThomas White <taw@physics.org>2014-09-19 16:23:39 +0200
commit6a6cb3b4d7f15c234a79ff8421a0ae5c1a1dcb2a (patch)
tree00f6e0da9a8d086af18b0b1f34433bc115c9f206 /src/get_hkl.c
parent2c959daa7a46b99a10dd5a1998b62ccb8def97de (diff)
Introduce CrystFEL unit cell files
Diffstat (limited to 'src/get_hkl.c')
-rw-r--r--src/get_hkl.c24
1 files changed, 12 insertions, 12 deletions
diff --git a/src/get_hkl.c b/src/get_hkl.c
index 3da68ef7..72b73041 100644
--- a/src/get_hkl.c
+++ b/src/get_hkl.c
@@ -421,7 +421,7 @@ int main(int argc, char *argv[])
char *cutoff_str = NULL;
double cutiso = 0.0;
float cutn1, cutn2, cutn3;
- char *pdb = NULL;
+ char *cellfile = NULL;
char *reindex_str = NULL;
SymOpList *reindex = NULL;
@@ -487,7 +487,7 @@ int main(int argc, char *argv[])
break;
case 'p' :
- pdb = strdup(optarg);
+ cellfile = strdup(optarg);
break;
case 2 :
@@ -715,18 +715,18 @@ int main(int argc, char *argv[])
RefListIterator *iter;
UnitCell *cell;
- if ( pdb == NULL ) {
- ERROR("You must provide a PDB file when using "
+ if ( cellfile == NULL ) {
+ ERROR("You must provide a unit cell when using "
"--cutoff-angstroms.\n");
return 1;
}
- cell = load_cell_from_pdb(pdb);
+ cell = load_cell_from_file(cellfile);
if ( cell == NULL ) {
- ERROR("Failed to load cell from '%s'\n", pdb);
+ ERROR("Failed to load cell from '%s'\n", cellfile);
return 1;
}
- free(pdb);
+ free(cellfile);
n = reflist_new();
@@ -762,18 +762,18 @@ int main(int argc, char *argv[])
double csx, csy, csz;
double as, bs, cs;
- if ( pdb == NULL ) {
- ERROR("You must provide a PDB file when using "
+ if ( cellfile == NULL ) {
+ ERROR("You must provide a unit cell when using "
"--cutoff-angstroms.\n");
return 1;
}
- cell = load_cell_from_pdb(pdb);
+ cell = load_cell_from_file(cellfile);
if ( cell == NULL ) {
- ERROR("Failed to load cell from '%s'\n", pdb);
+ ERROR("Failed to load cell from '%s'\n", cellfile);
return 1;
}
- free(pdb);
+ free(cellfile);
cell_get_reciprocal(cell, &asx, &asy, &asz,
&bsx, &bsy, &bsz,