From 761da16096472d157b2dd9c871e81ab17cdef12d Mon Sep 17 00:00:00 2001
From: Thomas White <taw@bitwiz.org.uk>
Date: Wed, 6 Feb 2013 18:59:40 +0100
Subject: Stuff for partialator

---
 libcrystfel/src/crystal.c  | 42 ++++++++++++++++++++++++++++++++++++++++++
 libcrystfel/src/crystal.h  |  2 ++
 libcrystfel/src/geometry.c |  3 ++-
 libcrystfel/src/geometry.h |  2 +-
 4 files changed, 47 insertions(+), 2 deletions(-)

(limited to 'libcrystfel')

diff --git a/libcrystfel/src/crystal.c b/libcrystfel/src/crystal.c
index 8ba955f6..6ff251e0 100644
--- a/libcrystfel/src/crystal.c
+++ b/libcrystfel/src/crystal.c
@@ -49,6 +49,9 @@
 
 struct _crystal
 {
+	/* The image containing the crystal */
+	struct image            *image;
+
 	/* Information about the crystal */
 	UnitCell                *cell;
 	double                  m;     /* Mosaicity in radians */
@@ -60,6 +63,9 @@ struct _crystal
 	/* Integrated (or about-to-be-integrated) reflections */
 	RefList                 *reflections;
 	long long int           n_saturated;  /* Number of overloads */
+
+	/* User flag, e.g. for "this is a bad crystal". */
+	int                     user_flag;
 };
 
 
@@ -139,6 +145,24 @@ long long int crystal_get_num_saturated_reflections(Crystal *cryst)
 }
 
 
+struct image *crystal_get_image(Crystal *cryst)
+{
+	return cryst->image;
+}
+
+
+double crystal_get_osf(Crystal *cryst)
+{
+	return cryst->osf;
+}
+
+
+int crystal_get_user_flag(Crystal *cryst)
+{
+	return cryst->user_flag;
+}
+
+
 /********************************** Setters ***********************************/
 
 
@@ -172,3 +196,21 @@ void crystal_set_num_saturated_reflections(Crystal *cryst, long long int n)
 {
 	cryst->n_saturated = n;
 }
+
+
+void crystal_set_image(Crystal *cryst, struct image *image)
+{
+	cryst->image = image;
+}
+
+
+void crystal_set_osf(Crystal *cryst, double osf)
+{
+	cryst->osf = osf;
+}
+
+
+void crystal_set_user_flag(Crystal *cryst, int user_flag)
+{
+	cryst->user_flag = user_flag;
+}
diff --git a/libcrystfel/src/crystal.h b/libcrystfel/src/crystal.h
index f418f23a..f7c49a81 100644
--- a/libcrystfel/src/crystal.h
+++ b/libcrystfel/src/crystal.h
@@ -57,6 +57,7 @@ extern double crystal_get_resolution_limit(Crystal *cryst);
 extern long long int crystal_get_num_saturated_reflections(Crystal *cryst);
 extern int crystal_get_user_flag(Crystal *cryst);
 extern double crystal_get_osf(Crystal *cryst);
+extern struct image *crystal_get_image(Crystal *cryst);
 
 extern void crystal_set_cell(Crystal *cryst, UnitCell *cell);
 extern void crystal_set_profile_radius(Crystal *cryst, double r);
@@ -66,5 +67,6 @@ extern void crystal_set_num_saturated_reflections(Crystal *cryst,
                                                   long long int n);
 extern void crystal_set_user_flag(Crystal *cryst, int flag);
 extern void crystal_set_osf(Crystal *cryst, double osf);
+extern void crystal_set_image(Crystal *cryst, struct image *image);
 
 #endif	/* CRYSTAL_H */
diff --git a/libcrystfel/src/geometry.c b/libcrystfel/src/geometry.c
index 9c494e2c..704baa51 100644
--- a/libcrystfel/src/geometry.c
+++ b/libcrystfel/src/geometry.c
@@ -346,7 +346,7 @@ RefList *select_intersections(struct image *image, Crystal *cryst)
 
 
 /* Calculate partialities and apply them to the image's reflections */
-void update_partialities(struct image *image, Crystal *cryst)
+void update_partialities(Crystal *cryst)
 {
 	Reflection *refl;
 	RefListIterator *iter;
@@ -354,6 +354,7 @@ void update_partialities(struct image *image, Crystal *cryst)
 	double asx, asy, asz;
 	double bsx, bsy, bsz;
 	double csx, csy, csz;
+	struct image *image = crystal_get_image(cryst);
 
 	cell_get_reciprocal(crystal_get_cell(cryst), &asx, &asy, &asz,
 	                    &bsx, &bsy, &bsz, &csx, &csy, &csz);
diff --git a/libcrystfel/src/geometry.h b/libcrystfel/src/geometry.h
index 9d8fa475..aecdc28a 100644
--- a/libcrystfel/src/geometry.h
+++ b/libcrystfel/src/geometry.h
@@ -46,7 +46,7 @@ extern "C" {
 extern RefList *find_intersections(struct image *image, Crystal *cryst);
 extern RefList *select_intersections(struct image *image, Crystal *cryst);
 
-extern void update_partialities(struct image *image, Crystal *cryst);
+extern void update_partialities(Crystal *cryst);
 
 #ifdef __cplusplus
 }
-- 
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