indexamajig: Write target unit cell into stream

1 files changed, 65 insertions, 0 deletions

diff --git a/libcrystfel/src/stream.c b/libcrystfel/src/stream.c
index c5ab6626..43fd273c 100644
--- a/libcrystfel/src/stream.c
+++ b/libcrystfel/src/stream.c
@@ -1390,6 +1390,71 @@ Stream *open_stream_fd_for_write(int fd)
 }
 
 
+static void write_cell_to_stream(Stream *st, UnitCell *cell)
+{
+	fprintf(st->fh, CELL_START_MARKER"\n");
+	write_cell(cell, st->fh);
+	fprintf(st->fh, "; Please note: this is the target unit cell.\n");
+	fprintf(st->fh, "; The actual unit cells produced by indexing "
+	                "depend on many other factors.\n");
+	fprintf(st->fh, CELL_END_MARKER"\n");
+	fflush(st->fh);
+}
+
+
+/**
+ * open_stream_for_write_3
+ * @filename: Filename of new stream
+ * @geom_filename: The geometry filename to copy
+ * @cell: A %UnitCell to write into the stream
+ * @argc: The number of arguments to the program
+ * @argv: The arguments to the program
+ *
+ * Creates a new stream with name @filename, and adds the stream format
+ * and version header, plus a verbatim copy of the geometry file and the unit
+ * cell in CrystFEL format.
+ *
+ * Returns: a %Stream, or NULL on failure.
+ */
+Stream *open_stream_for_write_3(const char *filename,
+                                const char *geom_filename, UnitCell *cell,
+                                int argc, char *argv[])
+
+{
+	Stream *st;
+
+	st = malloc(sizeof(struct _stream));
+	if ( st == NULL ) return NULL;
+
+	st->fh = fopen(filename, "w");
+	if ( st->fh == NULL ) {
+		ERROR("Failed to open stream.\n");
+		free(st);
+		return NULL;
+	}
+
+	st->major_version = LATEST_MAJOR_VERSION;
+	st->minor_version = LATEST_MINOR_VERSION;
+
+	fprintf(st->fh, "CrystFEL stream format %i.%i\n",
+	        st->major_version, st->minor_version);
+	fprintf(st->fh, "Generated by CrystFEL "CRYSTFEL_VERSIONSTRING"\n");
+	fflush(st->fh);
+
+	if ( (argc > 0) && (argv != NULL) ) {
+		write_command(st, argc, argv);
+	}
+	if ( geom_filename != NULL ) {
+		write_geometry_file(st, geom_filename);
+	}
+	if ( cell != NULL ) {
+		write_cell_to_stream(st, cell);
+	}
+
+	return st;
+}
+
+
 /**
  * open_stream_for_write_2
  * @filename: Filename of new stream