facetron: Split out core work

1 files changed, 100 insertions, 124 deletions

diff --git a/src/facetron.c b/src/facetron.c
index 7da96153..d2c0edd7 100644
--- a/src/facetron.c
+++ b/src/facetron.c
@@ -44,7 +44,7 @@ struct process_args
 
 	UnitCell *cell;
 	struct detector *det;
-	char *sym;
+	const char *sym;
 };
 
 
@@ -211,122 +211,14 @@ static int find_chunk(FILE *fh, UnitCell **cell, char **filename)
 }
 
 
-static void add_to_mean(UnitCell *cell, double *ast, double *bst, double *cst,
-                        double *alst, double *best, double *gast)
+static void optimise_all(int nthreads, struct detector *det, const char *sym,
+                         FILE *fh, int config_basename, const char *prefix)
 {
-	double asx, asy, asz;
-	double bsx, bsy, bsz;
-	double csx, csy, csz;
-
-	cell_get_reciprocal(cell, &asx, &asy, &asz, &bsx, &bsy, &bsz,
-	                          &csx, &csy, &csz);
-	*ast += modulus(asx, asy, asz);
-	*bst += modulus(bsx, bsy, bsz);
-	*cst += modulus(csx, csy, csz);
-	*alst += angle_between(bsx, bsy, bsz, csx, csy, csz);
-	*best += angle_between(asx, asy, asz, csx, csy, csz);
-	*gast += angle_between(asx, asy, asz, bsx, bsy, bsz);
-}
-
-
-int main(int argc, char *argv[])
-{
-	int c;
-	char *infile = NULL;
-	char *geomfile = NULL;
-	FILE *fh;
-	int rval;
-	int n_images;
-	char *prefix = NULL;
-	int nthreads = 1;
 	pthread_t workers[MAX_THREADS];
 	struct process_args *worker_args[MAX_THREADS];
 	int worker_active[MAX_THREADS];
-	int config_basename = 0;
-	int config_checkprefix = 1;
-	struct detector *det;
 	int i;
-	char *sym = NULL;
-	double as, bs, cs, als, bes, gas;
-
-	/* Long options */
-	const struct option longopts[] = {
-		{"help",               0, NULL,               'h'},
-		{"input",              1, NULL,               'i'},
-		{"geometry",           1, NULL,               'g'},
-		{"prefix",             1, NULL,               'x'},
-		{"basename",           0, &config_basename,    1},
-		{"no-check-prefix",    0, &config_checkprefix, 0},
-		{0, 0, NULL, 0}
-	};
-
-	/* Short options */
-	while ((c = getopt_long(argc, argv, "hi:g:x:j:",
-	                        longopts, NULL)) != -1) {
-
-		switch (c) {
-		case 'h' :
-			show_help(argv[0]);
-			return 0;
-
-		case 'i' :
-			infile = strdup(optarg);
-			break;
-
-		case 'g' :
-			geomfile = strdup(optarg);
-			break;
-
-		case 'x' :
-			prefix = strdup(optarg);
-			break;
-
-		case 'j' :
-			nthreads = atoi(optarg);
-			break;
-
-		case 0 :
-			break;
-
-		default :
-			return 1;
-		}
-
-	}
-
-
-	if ( infile == NULL ) {
-		infile = strdup("-");
-	}
-	if ( strcmp(infile, "-") == 0 ) {
-		fh = stdin;
-	} else {
-		fh = fopen(infile, "r");
-	}
-	if ( fh == NULL ) {
-		ERROR("Failed to open input file '%s'\n", infile);
-		return 1;
-	}
-	free(infile);
-
-	if ( prefix == NULL ) {
-		prefix = strdup("");
-	} else {
-		if ( config_checkprefix ) {
-			prefix = check_prefix(prefix);
-		}
-	}
-
-	det = get_detector_geometry(geomfile);
-	if ( det == NULL ) {
-		ERROR("Failed to read detector geometry from '%s'\n", geomfile);
-		return 1;
-	}
-	free(geomfile);
-
-	sym = strdup("6/mmm");  /* FIXME: Should be on command line */
-
-	as = 0.0; bs = 0.0; cs = 0.0; als = 0.0; bes = 0.0; gas = 0.0;
+	int rval;
 
 	/* Initialise worker arguments */
 	for ( i=0; i<nthreads; i++ ) {
@@ -340,8 +232,6 @@ int main(int argc, char *argv[])
 
 	}
 
-	n_images = 0;
-
 	/* Start threads off */
 	for ( i=0; i<nthreads; i++ ) {
 
@@ -356,7 +246,6 @@ int main(int argc, char *argv[])
 		/* Get the next filename */
 		rval = find_chunk(fh, &cell, &filename);
 		if ( rval == 1 ) break;
-		add_to_mean(cell, &as, &bs, &cs, &als, &bes, &gas);
 		if ( config_basename ) {
 			char *tmp;
 			tmp = basename(filename);
@@ -368,8 +257,6 @@ int main(int argc, char *argv[])
 		pargs->cell = cell;
 		free(filename);
 
-		n_images++;
-
 		pthread_mutex_lock(&pargs->control_mutex);
 		pargs->done = 0;
 		pargs->start = 1;
@@ -414,7 +301,6 @@ int main(int argc, char *argv[])
 			/* Get the next filename */
 			rval = find_chunk(fh, &cell, &filename);
 			if ( rval == 1 ) break;
-			add_to_mean(cell, &as, &bs, &cs, &als, &bes, &gas);
 			if ( config_basename ) {
 				char *tmp;
 				tmp = basename(filename);
@@ -426,10 +312,6 @@ int main(int argc, char *argv[])
 			pargs->cell = cell;
 			free(filename);
 
-			n_images++;
-
-			STATUS("Done %i images\n", n_images);
-
 			/* Wake the thread up ... */
 			pthread_mutex_lock(&pargs->control_mutex);
 			pargs->done = 0;
@@ -460,10 +342,104 @@ int main(int argc, char *argv[])
 		}
 
 	}
+}
 
-	fclose(fh);
 
-	STATUS("There were %i images.\n", n_images);
+int main(int argc, char *argv[])
+{
+	int c;
+	char *infile = NULL;
+	char *geomfile = NULL;
+	FILE *fh;
+	char *prefix = NULL;
+	int nthreads = 1;
+	int config_basename = 0;
+	int config_checkprefix = 1;
+	struct detector *det;
+	char *sym = NULL;
+
+	/* Long options */
+	const struct option longopts[] = {
+		{"help",               0, NULL,               'h'},
+		{"input",              1, NULL,               'i'},
+		{"geometry",           1, NULL,               'g'},
+		{"prefix",             1, NULL,               'x'},
+		{"basename",           0, &config_basename,    1},
+		{"no-check-prefix",    0, &config_checkprefix, 0},
+		{0, 0, NULL, 0}
+	};
+
+	/* Short options */
+	while ((c = getopt_long(argc, argv, "hi:g:x:j:",
+	                        longopts, NULL)) != -1) {
+
+		switch (c) {
+		case 'h' :
+			show_help(argv[0]);
+			return 0;
+
+		case 'i' :
+			infile = strdup(optarg);
+			break;
+
+		case 'g' :
+			geomfile = strdup(optarg);
+			break;
+
+		case 'x' :
+			prefix = strdup(optarg);
+			break;
+
+		case 'j' :
+			nthreads = atoi(optarg);
+			break;
+
+		case 0 :
+			break;
+
+		default :
+			return 1;
+		}
+
+	}
+
+	if ( infile == NULL ) {
+		infile = strdup("-");
+	}
+	if ( strcmp(infile, "-") == 0 ) {
+		fh = stdin;
+	} else {
+		fh = fopen(infile, "r");
+	}
+	if ( fh == NULL ) {
+		ERROR("Failed to open input file '%s'\n", infile);
+		return 1;
+	}
+	free(infile);
+
+	if ( prefix == NULL ) {
+		prefix = strdup("");
+	} else {
+		if ( config_checkprefix ) {
+			prefix = check_prefix(prefix);
+		}
+	}
+
+	det = get_detector_geometry(geomfile);
+	if ( det == NULL ) {
+		ERROR("Failed to read detector geometry from '%s'\n", geomfile);
+		return 1;
+	}
+	free(geomfile);
+
+	sym = strdup("6/mmm");  /* FIXME: Should be on command line */
+
+	rewind(fh);
+	optimise_all(nthreads, det, sym, fh, config_basename, prefix);
+
+	fclose(fh);
+	free(sym);
+	free(prefix);
 
 	return 0;
 }