Trim the list of geometric parameters

3 files changed, 55 insertions, 42 deletions

diff --git a/libcrystfel/src/crystfel-mille.c b/libcrystfel/src/crystfel-mille.c
index a16ade52..d4c75ef0 100644
--- a/libcrystfel/src/crystfel-mille.c
+++ b/libcrystfel/src/crystfel-mille.c
@@ -62,12 +62,12 @@ int mille_label(int hierarchy_level, int member_index, enum gparam param)
 
 	label = 100000*hierarchy_level + 100*member_index;
 	switch ( param ) {
-		case GPARAM_DETX : return label+1;  /* x-shift */
-		case GPARAM_DETY : return label+2;  /* y-shift */
-		case GPARAM_CLEN : return label+3;  /* z-shift */
-		case GPARAM_ROTX : return label+4;  /* Rotation around x */
-		case GPARAM_ROTY : return label+5;  /* Rotation around y */
-		case GPARAM_ROTZ : return label+6;  /* Rotation around z */
+		case GPARAM_DET_TX : return label+1;  /* x-shift */
+		case GPARAM_DET_TY : return label+2;  /* y-shift */
+		case GPARAM_DET_TZ : return label+3;  /* z-shift */
+		case GPARAM_DET_RX : return label+4;  /* Rotation around x */
+		case GPARAM_DET_RY : return label+5;  /* Rotation around y */
+		case GPARAM_DET_RZ : return label+6;  /* Rotation around z */
 		default : abort();
 	}
 }
@@ -111,15 +111,15 @@ void write_mille(Mille *mille, int n, UnitCell *cell,
 		while ( group != NULL ) {
 
 			global_gradients[j] = -1.0;
-			labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_DETX);
+			labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_DET_TX);
 			j++;
 
 			global_gradients[j] = -xl / (kpred+zl);
-			labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_CLEN);
+			labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_DET_TZ);
 			j++;
 
-			global_gradients[j] = -(ypk - group->cy);
-			labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_ROTZ);
+			global_gradients[j] = 0.0;
+			labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_DET_RZ);
 			j++;
 
 			group = group->parent;
@@ -143,15 +143,15 @@ void write_mille(Mille *mille, int n, UnitCell *cell,
 		while ( group != NULL ) {
 
 			global_gradients[j] = -1.0;
-			labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_DETY);
+			labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_DET_TY);
 			j++;
 
 			global_gradients[j] = -yl / (kpred+zl);
-			labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_CLEN);
+			labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_DET_TZ);
 			j++;
 
-			global_gradients[j] = xpk - group->cx;
-			labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_ROTZ);
+			global_gradients[j] = 0.0;
+			labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_DET_RZ);
 			j++;
 
 			group = group->parent;
diff --git a/libcrystfel/src/predict-refine.c b/libcrystfel/src/predict-refine.c
index d600563a..d8547710 100644
--- a/libcrystfel/src/predict-refine.c
+++ b/libcrystfel/src/predict-refine.c
@@ -123,9 +123,13 @@ 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 :
+		/* Detector movements don't affect excitation error */
+		case GPARAM_DET_TX :
+		case GPARAM_DET_TY :
+		case GPARAM_DET_TZ :
+		case GPARAM_DET_RX :
+		case GPARAM_DET_RY :
+		case GPARAM_DET_RZ :
 		return 0.0;
 
 	}
@@ -182,15 +186,24 @@ double fs_gradient(int param, Reflection *refl, UnitCell *cell,
 		case GPARAM_CSZ :
 		return -l * xl * p->cnz * p->pixel_pitch / (kpred*kpred + 2.0*kpred*zl + zl*zl);
 
-		case GPARAM_DETX :
-		return -1;
+		case GPARAM_DET_TX :
+		return 0.0;
 
-		case GPARAM_DETY :
-		return 0;
+		case GPARAM_DET_TY :
+		return 0.0;
 
-		case GPARAM_CLEN :
+		case GPARAM_DET_TZ :
 		return -xl / (kpred+zl);
 
+		case GPARAM_DET_RX :
+		return 0.0;
+
+		case GPARAM_DET_RY :
+		return 0.0;
+
+		case GPARAM_DET_RZ :
+		return -1;
+
 		default:
 		ERROR("Positional gradient requested for parameter %i?\n", param);
 		abort();
@@ -247,15 +260,24 @@ double ss_gradient(int param, Reflection *refl, UnitCell *cell,
 		case GPARAM_CSZ :
 		return -l * yl * p->cnz * p->pixel_pitch / (kpred*kpred + 2.0*kpred*zl + zl*zl);
 
-		case GPARAM_DETX :
-		return 0;
+		case GPARAM_DET_TX :
+		return 0.0;
 
-		case GPARAM_DETY :
-		return -1;
+		case GPARAM_DET_TY :
+		return 0.0;
 
-		case GPARAM_CLEN :
+		case GPARAM_DET_TZ :
 		return -yl / (kpred+zl);
 
+		case GPARAM_DET_RX :
+		return 0.0;
+
+		case GPARAM_DET_RY :
+		return 0.0;
+
+		case GPARAM_DET_RZ :
+		return -1;
+
 		default :
 		ERROR("Positional gradient requested for parameter %i?\n", param);
 		abort();
diff --git a/libcrystfel/src/predict-refine.h b/libcrystfel/src/predict-refine.h
index c667dc6d..8a2f6ef0 100644
--- a/libcrystfel/src/predict-refine.h
+++ b/libcrystfel/src/predict-refine.h
@@ -42,21 +42,12 @@ enum gparam {
 	GPARAM_CSX,
 	GPARAM_CSY,
 	GPARAM_CSZ,
-	GPARAM_R,
-	GPARAM_DIV,
-	GPARAM_DETX,
-	GPARAM_DETY,
-	GPARAM_CLEN,
-	GPARAM_OSF,   /* Linear scale factor */
-	GPARAM_BFAC,  /* D-W scale factor */
-	GPARAM_ANG1,  /* Out of plane rotation angles of crystal */
-	GPARAM_ANG2,
-	GPARAM_WAVELENGTH,
-	GPARAM_ROTX,  /* Detector panel rotation about +x */
-	GPARAM_ROTY,  /* Detector panel rotation about +y */
-	GPARAM_ROTZ,  /* Detector panel rotation about +z */
-
-	GPARAM_EOL    /* End of list */
+	GPARAM_DET_TX,
+	GPARAM_DET_TY,
+	GPARAM_DET_TZ,
+	GPARAM_DET_RX,  /* Detector panel (group) rotation about +x */
+	GPARAM_DET_RY,  /* Detector panel (group) rotation about +y */
+	GPARAM_DET_RZ,  /* Detector panel (group) rotation about +z */
 };