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authorThomas White <taw@physics.org>2013-01-28 10:25:04 +0100
committerThomas White <taw@physics.org>2013-01-28 10:25:04 +0100
commit91f2cbf5d3dcb42b7e6762fb54734096425f4315 (patch)
tree440d41f134f3c969b84c231cba7f0f15c1917d59 /libcrystfel/src/image.h
parent1c82ece5bab805488ac31b3533ee327e030651e0 (diff)
First bit of Crystal
Diffstat (limited to 'libcrystfel/src/image.h')
-rw-r--r--libcrystfel/src/image.h33
1 files changed, 6 insertions, 27 deletions
diff --git a/libcrystfel/src/image.h b/libcrystfel/src/image.h
index afa9e4a7..bd90a920 100644
--- a/libcrystfel/src/image.h
+++ b/libcrystfel/src/image.h
@@ -41,6 +41,7 @@
#include "cell.h"
#include "detector.h"
#include "reflist.h"
+#include "crystal.h"
#define MAX_CELL_CANDIDATES (32)
@@ -79,10 +80,9 @@ typedef struct _imagefeaturelist ImageFeatureList;
* uint16_t *flags;
* double *twotheta;
*
- * UnitCell *indexed_cell;
- * UnitCell *candidate_cells[MAX_CELL_CANDIDATES];
- * int ncells;
-
+ * Crystal **crystals;
+ * int n_crystals;
+ *
* struct detector *det;
* struct beam_params *beam;
* char *filename;
@@ -90,22 +90,13 @@ typedef struct _imagefeaturelist ImageFeatureList;
*
* int id;
*
- * double m;
- *
* double lambda;
* double div;
* double bw;
- * double osf;
- * double profile_radius;
- * int pr_dud;
- * double diffracting_resolution;
*
* int width;
* int height;
*
- * RefList *reflections;
- * long long unsigned int n_saturated;
- *
* ImageFeatureList *features;
* };
* </programlisting>
@@ -141,9 +132,8 @@ struct image {
uint16_t *flags;
double *twotheta;
- UnitCell *indexed_cell;
- UnitCell *candidate_cells[MAX_CELL_CANDIDATES];
- int ncells;
+ struct crystal **crystals;
+ int n_crystals;
struct detector *det;
struct beam_params *beam; /* The nominal beam parameters */
@@ -153,25 +143,14 @@ struct image {
int id; /* ID number of the thread
* handling this image */
- /* Information about the crystal */
- double m; /* Mosaicity in radians */
-
/* Per-shot radiation values */
double lambda; /* Wavelength in m */
double div; /* Divergence in radians */
double bw; /* Bandwidth as a fraction */
- double osf; /* Overall scaling factor */
- double profile_radius; /* Radius of reflection */
- int pr_dud; /* Post refinement failed */
- double diffracting_resolution; /* Max 1/d in m^-1 */
int width;
int height;
- /* Integrated (or about-to-be-integrated) reflections */
- RefList *reflections;
- long long int n_saturated; /* Number of overloads */
-
/* Detected peaks */
ImageFeatureList *features;