partialator: Add --no-scale option

src/hrs-scaling.c

@@ -407,13 +407,20 @@ static void calculate_esds(struct image *images, int n, RefList *full,
 
 /* Scale the stack of images */
 RefList *scale_intensities(struct image *images, int n, RefList *gref,
-                           int n_threads)
+                           int n_threads, int noscale)
 {
 	int i;
 	double max_corr;
 	RefList *full = NULL;
 	const int min_redundancy = 3;
 
+	if ( noscale ) {
+		for ( i=0; i<n; i++ ) images[i].osf = 1.0;
+		full = lsq_intensities(images, n, n_threads);
+		calculate_esds(images, n, full, n_threads, min_redundancy);
+		return full;
+	}
+
 	/* No reference -> create an initial list to refine against */
 	if ( gref == NULL ) {
 		full = lsq_intensities(images, n, n_threads);

src/hrs-scaling.h

@@ -21,7 +21,8 @@
 #include "image.h"
 
 extern RefList *scale_intensities(struct image *images, int n,
-                                  RefList *reference, int n_threads);
+                                  RefList *reference, int n_threads,
+                                  int noscale);
 
 
 #endif	/* HRS_SCALING_H */

src/partialator.c

@@ -58,6 +58,7 @@ static void show_help(const char *s)
 "                              an HDF5 file.\n"
 "  -y, --symmetry=<sym>       Merge according to symmetry <sym>.\n"
 "  -n, --iterations=<n>       Run <n> cycles of scaling and post-refinement.\n"
+"      --no-scale             Fix all the scaling factors at unity.\n"
 "  -r, --reference=<file>     Refine images against reflections in <file>,\n"
 "                              instead of taking the mean of the intensity\n"
 "                              estimates.\n"
@@ -279,6 +280,7 @@ int main(int argc, char *argv[])
 	int have_reference = 0;
 	char cmdline[1024];
 	SRContext *sr;
+	int noscale = 0;
 
 	/* Long options */
 	const struct option longopts[] = {
@@ -289,6 +291,7 @@ int main(int argc, char *argv[])
 		{"beam",               1, NULL,               'b'},
 		{"symmetry",           1, NULL,               'y'},
 		{"iterations",         1, NULL,               'n'},
+		{"no-scale",           0, &noscale,            1},
 		{"reference",          1, NULL,               'r'},
 		{0, 0, NULL, 0}
 	};
@@ -485,8 +488,9 @@ int main(int argc, char *argv[])
 
 	/* Make initial estimates */
 	STATUS("Performing initial scaling.\n");
+	if ( noscale ) STATUS("Scale factors fixed at 1.\n");
 	full = scale_intensities(images, n_usable_patterns, reference,
-	                         nthreads);
+	                         nthreads, noscale);
 
 	sr = sr_titlepage(images, n_usable_patterns, "scaling-report.pdf",
 	                  infile, cmdline);
@@ -524,7 +528,7 @@ int main(int argc, char *argv[])
 		/* Re-estimate all the full intensities */
 		reflist_free(full);
 		full = scale_intensities(images, n_usable_patterns,
-		                         reference, nthreads);
+		                         reference, nthreads, noscale);
 
 		sr_iteration(sr, i+1, images, n_usable_patterns, full);