Introduce "rigid group collections"

1 files changed, 67 insertions, 46 deletions

diff --git a/libcrystfel/src/detector.h b/libcrystfel/src/detector.h
index f43df2cc..87fcc890 100644
--- a/libcrystfel/src/detector.h
+++ b/libcrystfel/src/detector.h
@@ -71,52 +71,61 @@ struct rigid_group
 };
 
 
-struct panel
+struct rg_collection
 {
-	char     name[1024];  /* Name for this panel */
+	char *name;
+	struct rigid_group **rigid_groups;
+	int n_rigid_groups;
+};
 
-	/* Position of panel in the data block in memory (see below) */
-	int      min_fs;  /* Smallest FS value considered to be in the panel */
-	int      max_fs;  /* Largest FS value considered to be in this panel */
-	int      min_ss;  /* ... and so on */
-	int      max_ss;
 
-	double   cnx;       /* Location of corner (min_fs,min_ss) in pixels */
-	double   cny;
-	double   coffset;
-	double   clen;     /* Camera length in metres */
-	char    *clen_from;
-	char    *mask;
-	double   res;      /* Resolution in pixels per metre */
-	char     badrow;   /* 'x' or 'y' */
-	int      no_index; /* Don't index peaks in this panel if non-zero */
-	struct rigid_group *rigid_group;  /* Rigid group */
-	double   adu_per_eV;   /* Number of ADU per eV */
-	double   max_adu;  /* Treat pixel as unreliable if higher than this */
-	char    *data;
-
-	struct dim_structure *dim_structure;
-
-	double fsx;
-	double fsy;
-	double ssx;
-	double ssy;
-
-	double xfs;
-	double yfs;
-	double xss;
-	double yss;
-
-	/* Position of the panel in the data block in the file.  The panels may
-	 * get moved around when the file is loaded (see hdf5_read2()),
-	 * especially if the panels come from different HDF5 elements. */
-	int orig_min_fs;
-	int orig_max_fs;
-	int orig_min_ss;
-	int orig_max_ss;
-
-	int w;  /* Width, calculated as max_fs-min_fs+1 */
-	int h;  /* Height, calculated as max_ss-min_ss+1 */
+struct panel
+{
+
+        char     name[1024];  /* Name for this panel */
+
+        /* Position of panel in the data block in memory (see below) */
+        int      min_fs;  /* Smallest FS value considered to be in the panel */
+        int      max_fs;  /* Largest FS value considered to be in this panel */
+        int      min_ss;  /* ... and so on */
+        int      max_ss;
+
+        double   cnx;       /* Location of corner (min_fs,min_ss) in pixels */
+        double   cny;
+        double   coffset;
+        double   clen;     /* Camera length in metres */
+        char    *clen_from;
+        char    *mask;
+        double   res;      /* Resolution in pixels per metre */
+        char     badrow;   /* 'x' or 'y' */
+        int      no_index; /* Don't index peaks in this panel if non-zero */
+        struct rigid_group *rigid_group;  /* Rigid group */
+        double   adu_per_eV;   /* Number of ADU per eV */
+        double   max_adu;  /* Treat pixel as unreliable if higher than this */
+        char    *data;
+
+        struct dim_structure *dim_structure;
+
+        double fsx;
+        double fsy;
+        double ssx;
+        double ssy;
+
+        double xfs;
+        double yfs;
+        double xss;
+        double yss;
+
+        /* Position of the panel in the data block in the file.  The panels may
+         * get moved around when the file is loaded (see hdf5_read2()),
+         * especially if the panels come from different HDF5 elements. */
+        int orig_min_fs;
+        int orig_max_fs;
+        int orig_min_ss;
+        int orig_max_ss;
+
+        int w;  /* Width, calculated as max_fs-min_fs+1 */
+        int h;  /* Height, calculated as max_ss-min_ss+1 */
 };
 
 
@@ -156,6 +165,9 @@ struct detector
 	struct rigid_group **rigid_groups;
 	int                n_rigid_groups;
 
+	struct rg_collection **rigid_group_collections;
+	int               	 n_rg_collections;
+
 	/* Location of the pixel furthest away from the beam position, which
 	 * will have the largest value of 2theta regardless of camera length
 	 * and wavelength */
@@ -207,6 +219,12 @@ extern void get_pixel_extents(struct detector *det,
 extern void fill_in_values(struct detector *det, struct hdfile *f,
                            struct event* ev);
 
+extern int panel_is_in_rigid_group(const struct rigid_group *rg,
+                                   struct panel *p);
+
+extern int rigid_group_is_in_collection(struct rg_collection *c,
+                                        struct rigid_group *rg);
+
 extern struct detector *copy_geom(const struct detector *in);
 
 extern int reverse_2d_mapping(double x, double y, double *pfs, double *pss,
@@ -218,10 +236,11 @@ extern double smallest_q(struct image *image);
 
 extern struct panel *find_panel_by_name(struct detector *det, const char *name);
 
-extern int write_detector_geometry(const char* geometry_filename,
+extern int write_detector_geometry(const char *geometry_filename,
                                    const char *output_filename,
-                                   struct detector *det);
-
+				   struct detector *det,
+                                   const char *additional_comment,
+                                   int write_panel_coffset);
 
 extern void mark_resolution_range_as_bad(struct image *image,
                                          double min, double max);
@@ -229,6 +248,8 @@ extern void mark_resolution_range_as_bad(struct image *image,
 
 extern int single_panel_data_source (struct detector *det, const char *element);
 
+struct rg_collection *find_rigid_group_collection_by_name(struct detector *det,
+                                                          const char *name);
 
 #ifdef __cplusplus
 }