--record=peaksifnotindexed option

src/indexamajig.c

@@ -132,17 +132,20 @@ static void show_help(const char *s)
 "\n\n"
 "You can control what information is included in the output stream using\n"
 "' --record=<flags>'.  Possible flags are:\n\n"
-" pixels         Include a list of sums of pixel values within the\n"
-"                 integration domain, correcting for individual pixel\n"
-"                 solid angles.\n"
+" pixels            Include a list of sums of pixel values within the\n"
+"                    integration domain, correcting for individual pixel\n"
+"                    solid angles.\n"
 "\n"
-" integrated     Include a list of reflection intensities, produced by\n"
-"                 integrating around predicted peak locations.\n"
+" integrated        Include a list of reflection intensities, produced by\n"
+"                    integrating around predicted peak locations.\n"
 "\n"
-" peaks          Include peak locations and intensities from the peak search.\n"
+" peaks             Include peak locations and intensities from the peak\n"
+"                    search.\n"
 "\n"
-" peaksifindexed As 'peaks', but only if the pattern could be indexed.\n\n"
+" peaksifindexed    As 'peaks', but only if the pattern could be indexed.\n"
 "\n"
+" peaksifnotindexed As 'peaks', but only if the pattern could NOT be indexed.\n"
+"\n\n"
 "The default is '--record=integrated'.  The flags 'pixels' and 'integrated'\n"
 "are mutually exclusive, as are the flags 'peaks' and 'peaksifindexed'.\n"
 "\n\n"

src/stream.c

@@ -69,6 +69,10 @@ int parse_stream_flags(const char *a)
 				exclusive("peaks", "peaksifindexed");
 				return -1;
 			}
+			if ( ret & STREAM_PEAKS_IF_NOT_INDEXED ) {
+				exclusive("peaks", "peaksifnotindexed");
+				return -1;
+			}
 			ret |= STREAM_PEAKS;
 
 		} else if ( strcmp(flags[i], "peaksifindexed") == 0) {
@@ -76,8 +80,25 @@ int parse_stream_flags(const char *a)
 				exclusive("peaks", "peaksifindexed");
 				return -1;
 			}
+			if ( ret & STREAM_PEAKS_IF_NOT_INDEXED ) {
+				exclusive("peaksifnotindexed",
+				          "peaksifindexed");
+				return -1;
+			}
 			ret |= STREAM_PEAKS_IF_INDEXED;
 
+		} else if ( strcmp(flags[i], "peaksifnotindexed") == 0) {
+			if ( ret & STREAM_PEAKS ) {
+				exclusive("peaks", "peaksifnotindexed");
+				return -1;
+			}
+			if ( ret & STREAM_PEAKS_IF_INDEXED ) {
+				exclusive("peaksifnotindexed",
+				          "peaksifindexed");
+				return -1;
+			}
+			ret |= STREAM_PEAKS_IF_NOT_INDEXED;
+
 		} else {
 			ERROR("Unrecognised stream flag '%s'\n", flags[i]);
 			return 0;
@@ -267,7 +288,9 @@ void write_chunk(FILE *ofh, struct image *i, int f)
 	        J_to_eV(ph_lambda_to_en(i->lambda)));
 
 	if ( (f & STREAM_PEAKS)
-	  || ((f & STREAM_PEAKS_IF_INDEXED) && (i->indexed_cell != NULL)) ) {
+	  || ((f & STREAM_PEAKS_IF_INDEXED) && (i->indexed_cell != NULL))
+	  || ((f & STREAM_PEAKS_IF_NOT_INDEXED) && (i->indexed_cell == NULL)) )
+	{
 		fprintf(ofh, "\n");
 		write_peaks(i, ofh);
 	}

src/stream.h

@@ -22,11 +22,12 @@ struct image;
 /* Possible options dictating what goes into the output stream */
 enum
 {
-	STREAM_NONE             = 0,
-	STREAM_INTEGRATED       = 1<<0,
-	STREAM_PIXELS           = 1<<1,
-	STREAM_PEAKS            = 1<<2,
-	STREAM_PEAKS_IF_INDEXED = 1<<3,
+	STREAM_NONE                 = 0,
+	STREAM_INTEGRATED           = 1<<0,
+	STREAM_PIXELS               = 1<<1,
+	STREAM_PEAKS                = 1<<2,
+	STREAM_PEAKS_IF_INDEXED     = 1<<3,
+	STREAM_PEAKS_IF_NOT_INDEXED = 1<<4,
 };