Finish fixing compiler warnings

5 files changed, 39 insertions, 22 deletions

diff --git a/src/check_hkl.c b/src/check_hkl.c
index db807b33..8409563f 100644
--- a/src/check_hkl.c
+++ b/src/check_hkl.c
@@ -47,7 +47,7 @@ static void show_help(const char *s)
 }
 
 
-static void plot_shells(RefList *list, UnitCell *cell, const char *sym,
+static void plot_shells(RefList *list, UnitCell *cell, const SymOpList *sym,
                         double rmin_fix, double rmax_fix)
 {
 	double num[NBINS];
@@ -180,7 +180,7 @@ static void plot_shells(RefList *list, UnitCell *cell, const char *sym,
 		}
 		if ( bin == -1 ) continue;
 
-		get_asymm(h, k, l, &hs, &ks, &ls, sym);
+		get_asymm(sym, h, k, l, &hs, &ks, &ls);
 		if ( lookup_count(counted, hs, ks, ls) ) continue;
 		set_count(counted, hs, ks, ls, 1);
 
@@ -305,7 +305,8 @@ int main(int argc, char *argv[])
 	int c;
 	UnitCell *cell;
 	char *file = NULL;
-	char *sym = NULL;
+	char *sym_str = NULL;
+	SymOpList *sym;
 	RefList *raw_list;
 	RefList *list;
 	Reflection *refl;
@@ -334,7 +335,7 @@ int main(int argc, char *argv[])
 			return 0;
 
 		case 'y' :
-			sym = strdup(optarg);
+			sym_str = strdup(optarg);
 			break;
 
 		case 'p' :
@@ -369,9 +370,11 @@ int main(int argc, char *argv[])
 		return 1;
 	}
 
-	if ( sym == NULL ) {
-		sym = strdup("1");
+	if ( sym_str == NULL ) {
+		sym_str = strdup("1");
 	}
+	sym = get_pointgroup(sym_str);
+	free(sym_str);
 
 	file = strdup(argv[optind++]);
 
@@ -390,7 +393,7 @@ int main(int argc, char *argv[])
 	/* Check that the intensities have the correct symmetry */
 	if ( check_list_symmetry(raw_list, sym) ) {
 		ERROR("The input reflection list does not appear to"
-		      " have symmetry %s\n", sym);
+		      " have symmetry %s\n", symmetry_name(sym));
 		return 1;
 	}
 
diff --git a/src/cubeit.c b/src/cubeit.c
index 75e4e001..212be426 100644
--- a/src/cubeit.c
+++ b/src/cubeit.c
@@ -60,7 +60,7 @@ struct static_sum_args
 	signed int ht;
 	signed int kt;
 	signed int lt;
-	char *sym;
+	SymOpList *sym;
 };
 
 
@@ -282,7 +282,7 @@ static void sum_image(void *pg, int cookie)
 		 * averaging, the pattern must be transformed by the
 		 * appropriate symmetry operator(s) to bring it into
 		 * alignment. */
-		//get_asymm(h, k, l, &ha, &ka, &la, pargs->sym);
+		//get_asymm(pargs->sym, h, k, l, &ha, &ka, &la);
 		//if ( (ha!=pargs->ht) || (ka!=pargs->kt) || (la!=pargs->lt) ) {
 		//	continue;
 		//}
@@ -464,7 +464,7 @@ int main(int argc, char *argv[])
 	unsigned int angles[180];
 	int config_angles = 0;
 	signed int ht, kt, lt;
-	char *sym = NULL;
+	SymOpList *sym;
 	struct queue_args qargs;
 	pthread_mutex_t vals_mutex = PTHREAD_MUTEX_INITIALIZER;
 	pthread_mutex_t angles_mutex = PTHREAD_MUTEX_INITIALIZER;
@@ -556,7 +556,7 @@ int main(int argc, char *argv[])
 	}
 	free(geomfile);
 
-	sym = strdup("6/mmm");  /* FIXME: Should be on command line */
+	sym = get_pointgroup("6/mmm");  /* FIXME: Should be on command line */
 
 	/* Initialise histogram */
 	for ( i=0; i<180; i++ ) angles[i] = 0;
@@ -570,7 +570,7 @@ int main(int argc, char *argv[])
 	}
 
 	/* FIXME: Get indices on command line (or elsewhere) */
-	get_asymm(3, 4, 5, &ht, &kt, &lt, sym);
+	get_asymm(sym, 3, 4, 5, &ht, &kt, &lt);
 
 	as = 0.0; bs = 0.0; cs = 0.0; als = 0.0; bes = 0.0; gas = 0.0;
 
diff --git a/src/partial_sim.c b/src/partial_sim.c
index 6dafc4ba..04838552 100644
--- a/src/partial_sim.c
+++ b/src/partial_sim.c
@@ -63,7 +63,7 @@ static void mess_up_cell(UnitCell *cell)
 /* For each reflection in "partial", fill in what the intensity would be
  * according to "full" */
 static void calculate_partials(RefList *partial, double osf,
-                               RefList *full, const char *sym,
+                               RefList *full, const SymOpList *sym,
                                int random_intensities)
 {
 	Reflection *refl;
@@ -78,7 +78,7 @@ static void calculate_partials(RefList *partial, double osf,
 		double p, Ip, If;
 
 		get_indices(refl, &h, &k, &l);
-		get_asymm(h, k, l, &h, &k, &l, sym);
+		get_asymm(sym, h, k, l, &h, &k, &l);
 		p = get_partiality(refl);
 
 		rfull = find_refl(full, h, k, l);
@@ -143,7 +143,8 @@ int main(int argc, char *argv[])
 	struct detector *det = NULL;
 	struct beam_params *beam = NULL;
 	RefList *full = NULL;
-	char *sym = NULL;
+	char *sym_str = NULL;
+	SymOpList *sym;
 	UnitCell *cell = NULL;
 	struct quaternion orientation;
 	struct image image;
@@ -194,7 +195,7 @@ int main(int argc, char *argv[])
 			break;
 
 		case 'y' :
-			sym = strdup(optarg);
+			sym_str = strdup(optarg);
 			break;
 
 		case 'n' :
@@ -246,6 +247,10 @@ int main(int argc, char *argv[])
 	}
 	free(geomfile);
 
+	if ( sym_str == NULL ) sym_str = strdup("1");
+	sym = get_pointgroup(sym_str);
+	free(sym_str);
+
 	/* Load (full) reflections */
 	if ( input_file != NULL ) {
 
@@ -258,7 +263,7 @@ int main(int argc, char *argv[])
 		free(input_file);
 		if ( check_list_symmetry(full, sym) ) {
 			ERROR("The input reflection list does not appear to"
-			      " have symmetry %s\n", sym);
+			      " have symmetry %s\n", symmetry_name(sym));
 			return 1;
 		}
 
@@ -339,7 +344,7 @@ int main(int argc, char *argv[])
 	cell_free(cell);
 	free_detector_geometry(det);
 	free(beam);
-	free(sym);
+	free_symoplist(sym);
 	reflist_free(full);
 	free(image.filename);
 
diff --git a/src/partialator.c b/src/partialator.c
index 6c9748b6..f8db8432 100644
--- a/src/partialator.c
+++ b/src/partialator.c
@@ -258,7 +258,8 @@ int main(int argc, char *argv[])
 	char *infile = NULL;
 	char *outfile = NULL;
 	char *geomfile = NULL;
-	char *sym = NULL;
+	char *sym_str = NULL;
+	SymOpList *sym;
 	FILE *fh;
 	int nthreads = 1;
 	struct detector *det;
@@ -322,7 +323,7 @@ int main(int argc, char *argv[])
 			break;
 
 		case 'y' :
-			sym = strdup(optarg);
+			sym_str = strdup(optarg);
 			break;
 
 		case 'o' :
@@ -374,7 +375,9 @@ int main(int argc, char *argv[])
 		outfile = strdup("partialator.hkl");
 	}
 
-	if ( sym == NULL ) sym = strdup("1");
+	if ( sym_str == NULL ) sym_str = strdup("1");
+	sym = get_pointgroup(sym_str);
+	free(sym_str);
 
 	/* Get detector geometry */
 	det = get_detector_geometry(geomfile);
diff --git a/tests/gpu_sim_check.c b/tests/gpu_sim_check.c
index fa8e104d..b006ea8a 100644
--- a/tests/gpu_sim_check.c
+++ b/tests/gpu_sim_check.c
@@ -23,6 +23,7 @@
 #include "../src/detector.h"
 #include "../src/beam-parameters.h"
 #include "../src/utils.h"
+#include "../src/symmetry.h"
 
 
 #ifdef HAVE_CLOCK_GETTIME
@@ -65,6 +66,7 @@ int main(int argc, char *argv[])
 	const double sep = 20.0;
 	double start, end;
 	double gpu_time, cpu_time;
+	SymOpList *sym;
 
 	gctx = setup_gpu(1, NULL, NULL, NULL, 0);
 	if ( gctx == NULL ) {
@@ -141,12 +143,16 @@ int main(int argc, char *argv[])
 	end = get_hires_seconds();
 	gpu_time = end - start;
 
+	sym = get_pointgroup("1");
+
 	start = get_hires_seconds();
 	get_diffraction(&cpu_image, 8, 8, 8, NULL, NULL, NULL, cell,
-	                GRADIENT_MOSAIC, "1");
+	                GRADIENT_MOSAIC, sym);
 	end = get_hires_seconds();
 	cpu_time = end - start;
 
+	free_symoplist(sym);
+
 	STATUS("The GPU version was %5.2f times faster.\n", cpu_time/gpu_time);
 
 	gpu_min = +INFINITY;  gpu_max = -INFINITY;  gpu_tot = 0.0;