From c863d99144e6506320a557840f6ae37236a6a3c4 Mon Sep 17 00:00:00 2001
From: Thomas White <taw@physics.org>
Date: Mon, 8 Jun 2020 15:33:28 +0200
Subject: Replace largest_q for detgeom

---
 libcrystfel/src/detgeom.c  | 43 +++++++++++++++++++++++++++++++++++++++++++
 libcrystfel/src/detgeom.h  |  3 +++
 libcrystfel/src/geometry.c |  4 +++-
 3 files changed, 49 insertions(+), 1 deletion(-)

(limited to 'libcrystfel')

diff --git a/libcrystfel/src/detgeom.c b/libcrystfel/src/detgeom.c
index 7633ca54..772a620c 100644
--- a/libcrystfel/src/detgeom.c
+++ b/libcrystfel/src/detgeom.c
@@ -76,3 +76,46 @@ void detgeom_free(struct detgeom *detgeom)
 	free(detgeom->panels);
 	free(detgeom);
 }
+
+
+static double panel_max_res(struct detgeom_panel *p,
+                            double wavelength)
+{
+	double r[3];
+	double max_res = 0.0;
+
+	detgeom_transform_coords(p, 0, 0, wavelength, r);
+	max_res = biggest(max_res, modulus(r[0], r[1], r[2]));
+
+	detgeom_transform_coords(p, 0, p->h, wavelength, r);
+	max_res = biggest(max_res, modulus(r[0], r[1], r[2]));
+
+	detgeom_transform_coords(p, p->w, 0, wavelength, r);
+	max_res = biggest(max_res, modulus(r[0], r[1], r[2]));
+
+	detgeom_transform_coords(p, p->w, p->h, wavelength, r);
+	max_res = biggest(max_res, modulus(r[0], r[1], r[2]));
+
+	return max_res;
+}
+
+
+double detgeom_max_resolution(struct detgeom *detgeom,
+                              double wavelength)
+{
+	int i;
+	double max_res = 0.0;
+
+	for ( i=0; i<detgeom->n_panels; i++ ) {
+
+		double panel_maxres;
+
+		panel_maxres = panel_max_res(&detgeom->panels[i],
+		                             wavelength);
+		if ( panel_maxres > max_res ) {
+			max_res = panel_maxres;
+		}
+	}
+
+	return max_res;
+}
diff --git a/libcrystfel/src/detgeom.h b/libcrystfel/src/detgeom.h
index 67a33307..61106e32 100644
--- a/libcrystfel/src/detgeom.h
+++ b/libcrystfel/src/detgeom.h
@@ -103,6 +103,9 @@ extern void detgeom_transform_coords(struct detgeom_panel *p,
 
 extern void detgeom_free(struct detgeom *detgeom);
 
+extern double detgeom_max_resolution(struct detgeom *detgeom,
+                                     double wavelength);
+
 #ifdef __cplusplus
 }
 #endif
diff --git a/libcrystfel/src/geometry.c b/libcrystfel/src/geometry.c
index 8518d026..0dbabcf2 100644
--- a/libcrystfel/src/geometry.c
+++ b/libcrystfel/src/geometry.c
@@ -506,6 +506,7 @@ RefList *predict_to_res(Crystal *cryst, double max_res)
 	double mres;
 	signed int h, k, l;
 	UnitCell *cell;
+	struct image *image;
 
 	cell = crystal_get_cell(cryst);
 	if ( cell == NULL ) return NULL;
@@ -522,7 +523,8 @@ RefList *predict_to_res(Crystal *cryst, double max_res)
 
 	cell_get_cartesian(cell, &ax, &ay, &az, &bx, &by, &bz, &cx, &cy, &cz);
 
-	mres = largest_q(crystal_get_image(cryst));
+	image = crystal_get_image(cryst);
+	mres = detgeom_max_resolution(image->detgeom, image->lambda);
 	if ( mres > max_res ) mres = max_res;
 
 	hmax = mres * modulus(ax, ay, az);
-- 
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