From 69f9a5646f12f6055328e28c03ced984e9d6cbd5 Mon Sep 17 00:00:00 2001
From: Thomas White <taw@physics.org>
Date: Sun, 29 Mar 2015 08:11:21 -0700
Subject: Add GPARAM_DETX, GPARAM_DETY and GPARAM_CLEN

---
 libcrystfel/src/geometry.c |  5 +++++
 libcrystfel/src/geometry.h |  5 ++++-
 src/predict-refine.c       | 33 +++++++++++++++++++++++++--------
 3 files changed, 34 insertions(+), 9 deletions(-)

diff --git a/libcrystfel/src/geometry.c b/libcrystfel/src/geometry.c
index 92284c3d..ca91082b 100644
--- a/libcrystfel/src/geometry.c
+++ b/libcrystfel/src/geometry.c
@@ -370,6 +370,11 @@ double r_gradient(UnitCell *cell, int k, Reflection *refl, struct image *image)
 		case GPARAM_CSZ :
 		return - ls * cos(phi);
 
+		case GPARAM_DETX :
+		case GPARAM_DETY :
+		case GPARAM_CLEN :
+		return 0.0;
+
 	}
 
 	ERROR("No r gradient defined for parameter %i\n", k);
diff --git a/libcrystfel/src/geometry.h b/libcrystfel/src/geometry.h
index e0d21dda..cecdc4f1 100644
--- a/libcrystfel/src/geometry.h
+++ b/libcrystfel/src/geometry.h
@@ -63,7 +63,7 @@ typedef enum {
 
 
 /* Enumeration of parameters which may want to be refined */
-enum {
+enum gparam {
 	GPARAM_ASX,
 	GPARAM_ASY,
 	GPARAM_ASZ,
@@ -75,6 +75,9 @@ enum {
 	GPARAM_CSZ,
 	GPARAM_R,
 	GPARAM_DIV,
+	GPARAM_DETX,
+	GPARAM_DETY,
+	GPARAM_CLEN
 };
 
 
diff --git a/src/predict-refine.c b/src/predict-refine.c
index ff5fa862..28c9fdc7 100644
--- a/src/predict-refine.c
+++ b/src/predict-refine.c
@@ -235,7 +235,7 @@ static double x_gradient(int param, struct reflpeak *rp, struct detector *det,
 	tt = asin(lambda * resolution(cell, h, k, l));
 	clen = rp->panel->clen;
 	azi = atan2(yh, xh);
-	azf = 2.0*cos(azi);  /* FIXME: Why factor of 2? */
+	azf = cos(azi);
 
 	switch ( param ) {
 
@@ -258,13 +258,22 @@ static double x_gradient(int param, struct reflpeak *rp, struct detector *det,
 		return 0.0;
 
 		case GPARAM_ASZ :
-		return -h * lambda * clen * azf * sin(tt) / (cos(tt)*cos(tt));
+		return -h * lambda * clen * 2*azf * sin(tt) / (cos(tt)*cos(tt));
 
 		case GPARAM_BSZ :
-		return -k * lambda * clen * azf * sin(tt) / (cos(tt)*cos(tt));
+		return -k * lambda * clen * 2*azf * sin(tt) / (cos(tt)*cos(tt));
 
 		case GPARAM_CSZ :
-		return -l * lambda * clen * azf * sin(tt) / (cos(tt)*cos(tt));
+		return -l * lambda * clen * 2*azf * sin(tt) / (cos(tt)*cos(tt));
+
+		case GPARAM_DETX :
+		return -1;
+
+		case GPARAM_DETY :
+		return 0;
+
+		case GPARAM_CLEN :
+		return azf * cos(tt);
 
 	}
 
@@ -290,7 +299,7 @@ static double y_gradient(int param, struct reflpeak *rp, struct detector *det,
 	tt = asin(lambda * resolution(cell, h, k, l));
 	clen = rp->panel->clen;
 	azi = atan2(yh, xh);
-	azf = 2.0*sin(azi);  /* FIXME: Why factor of 2? */
+	azf = sin(azi);
 
 	switch ( param ) {
 
@@ -313,14 +322,22 @@ static double y_gradient(int param, struct reflpeak *rp, struct detector *det,
 		return l * lambda * clen / cos(tt);
 
 		case GPARAM_ASZ :
-		return -h * lambda * clen * azf * sin(tt) / (cos(tt)*cos(tt));
+		return -h * lambda * clen * 2*azf * sin(tt) / (cos(tt)*cos(tt));
 
 		case GPARAM_BSZ :
-		return -k * lambda * clen * azf * sin(tt) / (cos(tt)*cos(tt));
+		return -k * lambda * clen * 2*azf * sin(tt) / (cos(tt)*cos(tt));
 
 		case GPARAM_CSZ :
-		return -l * lambda * clen * azf * sin(tt) / (cos(tt)*cos(tt));
+		return -l * lambda * clen * 2*azf * sin(tt) / (cos(tt)*cos(tt));
+
+		case GPARAM_DETX :
+		return 0;
+
+		case GPARAM_DETY :
+		return -1;
 
+		case GPARAM_CLEN :
+		return azf * cos(tt);
 	}
 
 	ERROR("Positional gradient requested for parameter %i?\n", param);
-- 
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