get_hkl: Read intensities from file if requested

src/get_hkl.c

@@ -37,9 +37,11 @@ static void show_help(const char *s)
 "  -t, --template=<filename>  Only include reflections mentioned in file.\n"
 "      --poisson              Simulate Poisson samples.\n"
 "      --twin                 Generate twinned data.\n"
-"  -o  --output=<filename>    Output filename (default: stdout).\n"
+"  -o, --output=<filename>    Output filename (default: stdout).\n"
 "      --zone-axis            Generate hk0 intensities only (and add\n"
 "                              Synth2D-style header.\n"
+"  -i, --intensities=<file>   Read intensities from file instead of\n"
+"                              calculating them from scratch.\n"
 );
 }
 
@@ -110,6 +112,7 @@ int main(int argc, char *argv[])
 	char *output = NULL;
 	unsigned int *counts;
 	unsigned int *cts;
+	char *input = NULL;
 	signed int h, k, l;
 
 	/* Long options */
@@ -120,11 +123,12 @@ int main(int argc, char *argv[])
 		{"output",             1, NULL,               'o'},
 		{"twin",               0, &config_twin,        1},
 		{"zone-axis",          0, &config_za,          1},
+		{"intensities",        1, NULL,               'i'},
 		{0, 0, NULL, 0}
 	};
 
 	/* Short options */
-	while ((c = getopt_long(argc, argv, "ht:o:", longopts, NULL)) != -1) {
+	while ((c = getopt_long(argc, argv, "ht:o:i:", longopts, NULL)) != -1) {
 
 		switch (c) {
 		case 'h' : {
@@ -142,6 +146,11 @@ int main(int argc, char *argv[])
 			break;
 		}
 
+		case 'i' : {
+			input = strdup(optarg);
+			break;
+		}
+
 		case 0 : {
 			break;
 		}
@@ -155,7 +164,12 @@ int main(int argc, char *argv[])
 
 	mol = load_molecule();
 	cts = new_list_count();
-	ideal_ref = get_reflections(mol, eV_to_J(1790.0), 1/(0.6e-9), cts);
+	if ( input == NULL ) {
+		ideal_ref = get_reflections(mol, eV_to_J(1790.0), 1/(0.6e-9), cts);
+	} else {
+		ideal_ref = read_reflections(input, cts);
+		free(input);
+	}
 
 	counts = new_list_count();