Move residual() and log_residual() to merge.c

1 files changed, 1 insertions, 52 deletions

diff --git a/src/post-refinement.c b/src/post-refinement.c
index 293fe332..4e83eacc 100644
--- a/src/post-refinement.c
+++ b/src/post-refinement.c
@@ -45,6 +45,7 @@
 #include "cell-utils.h"
 #include "reflist-utils.h"
 #include "scaling.h"
+#include "merge.h"
 
 
 struct prdata
@@ -83,58 +84,6 @@ const char *str_prflag(enum prflag flag)
 }
 
 
-double residual(Crystal *cr, const RefList *full, int free,
-                int *pn_used, const char *filename)
-{
-	Reflection *refl;
-	RefListIterator *iter;
-	int n_used = 0;
-	double num = 0.0;
-	double den = 0.0;
-	double G = crystal_get_osf(cr);
-	double B = crystal_get_Bfac(cr);
-	UnitCell *cell = crystal_get_cell(cr);
-
-	for ( refl = first_refl(crystal_get_reflections(cr), &iter);
-	      refl != NULL;
-	      refl = next_refl(refl, iter) )
-	{
-		double p, w, corr, res;
-		signed int h, k, l;
-		Reflection *match;
-		double I_full;
-		double int1, int2;
-
-		if ( free && !get_flag(refl) ) continue;
-
-		get_indices(refl, &h, &k, &l);
-		res = resolution(cell, h, k, l);
-		match = find_refl(full, h, k, l);
-		if ( match == NULL ) continue;
-		I_full = get_intensity(match);
-
-		if ( get_redundancy(match) < 2 ) continue;
-
-		p = get_partiality(refl);
-		//if ( p < 0.2 ) continue;
-
-		corr = G * exp(B*res*res) * get_lorentz(refl);
-		int1 = get_intensity(refl) * corr;
-		int2 = p*I_full;
-		w = p;
-
-		num += fabs(int1 - int2) * w;
-		den += fabs(int1 + int2) * w/2.0;
-
-		n_used++;
-
-	}
-
-	if ( pn_used != NULL ) *pn_used = n_used;
-	return num/(den*sqrt(2));
-}
-
-
 static UnitCell *rotate_cell_xy(const UnitCell *cell, double ang1, double ang2)
 {
 	UnitCell *o;