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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/render_hkl.c
parent2c959daa7a46b99a10dd5a1998b62ccb8def97de (diff)
Introduce CrystFEL unit cell files
Diffstat (limited to 'src/render_hkl.c')
-rw-r--r--src/render_hkl.c20
1 files changed, 10 insertions, 10 deletions
diff --git a/src/render_hkl.c b/src/render_hkl.c
index bdf1bbe6..1b13be66 100644
--- a/src/render_hkl.c
+++ b/src/render_hkl.c
@@ -3,11 +3,11 @@
*
* Draw pretty renderings of reflection lists
*
- * Copyright © 2012-2013 Deutsches Elektronen-Synchrotron DESY,
+ * Copyright © 2012-2014 Deutsches Elektronen-Synchrotron DESY,
* a research centre of the Helmholtz Association.
*
* Authors:
- * 2010-2013 Thomas White <taw@physics.org>
+ * 2010-2014 Thomas White <taw@physics.org>
*
* This file is part of CrystFEL.
*
@@ -71,7 +71,7 @@ static void show_help(const char *s)
" --zone=<z> Show the <z>th Laue zone.\n"
" -o, --output=<filename> Output filename. Default: za.pdf\n"
" --boost=<val> Squash colour scale by <val>.\n"
-" -p, --pdb=<file> PDB file from which to get the unit cell.\n"
+" -p, --pdb=<file> File from which to get the unit cell.\n"
" -y, --symmetry=<sym> Expand reflections according to point group <sym>.\n"
"\n"
" -c, --colscale=<scale> Use the given colour scale. Choose from:\n"
@@ -741,7 +741,7 @@ int main(int argc, char *argv[])
int config_sqrt = 0;
int config_colkey = 0;
int config_zawhinge = 0;
- char *pdb = NULL;
+ char *cellfile = NULL;
int r = 0;
double boost = 1.0;
char *sym_str = NULL;
@@ -800,7 +800,7 @@ int main(int argc, char *argv[])
return 0;
case 'p' :
- pdb = strdup(optarg);
+ cellfile = strdup(optarg);
break;
case 'b' :
@@ -888,8 +888,8 @@ int main(int argc, char *argv[])
" any longer (I ignored it for you).\n");
}
- if ( (pdb == NULL) && !config_colkey ) {
- ERROR("You must specify the PDB containing the unit cell.\n");
+ if ( (cellfile == NULL) && !config_colkey ) {
+ ERROR("You must specify the unit cell.\n");
return 1;
}
@@ -974,9 +974,9 @@ int main(int argc, char *argv[])
infile = argv[optind];
- cell = load_cell_from_pdb(pdb);
+ cell = load_cell_from_file(cellfile);
if ( cell == NULL ) {
- ERROR("Couldn't load unit cell from %s\n", pdb);
+ ERROR("Couldn't load unit cell from %s\n", cellfile);
return 1;
}
list = read_reflections(infile);
@@ -993,7 +993,7 @@ int main(int argc, char *argv[])
render_za(cell, list, boost, sym, wght, colscale,
rh, rk, rl, dh, dk, dl, outfile, scale_top, zone, &rings);
- free(pdb);
+ free(cellfile);
free_symoplist(sym);
reflist_free(list);
if ( outfile != NULL ) free(outfile);