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authorThomas White <taw@bitwiz.org.uk>2010-12-08 16:30:35 -0700
committerThomas White <taw@physics.org>2012-02-22 15:27:09 +0100
commit57f325c7d13f60ba0c5f71921209e0f8d4f850bf (patch)
tree8e12c492e8b4fbd4208234b385c9738cc5029137
parent19fafd8430ce2006af9151802534cfd2e12f5295 (diff)
Use correct accessor type for ESD lists
-rw-r--r--src/check_hkl.c2
-rw-r--r--src/get_hkl.c6
-rw-r--r--src/process_hkl.c6
-rw-r--r--src/reflections.c6
4 files changed, 10 insertions, 10 deletions
diff --git a/src/check_hkl.c b/src/check_hkl.c
index 4ab76e43..385c2897 100644
--- a/src/check_hkl.c
+++ b/src/check_hkl.c
@@ -229,7 +229,7 @@ static void plot_shells(const double *ref, ReflItemList *items, UnitCell *cell,
d = resolution(cell, h, k, l) * 2.0;
val = lookup_intensity(ref, h, k, l);
- esd = lookup_intensity(sigma, h, k, l);
+ esd = lookup_sigma(sigma, h, k, l);
bin = -1;
for ( j=0; j<NBINS; j++ ) {
diff --git a/src/get_hkl.c b/src/get_hkl.c
index db8bd6f3..ba5106ec 100644
--- a/src/get_hkl.c
+++ b/src/get_hkl.c
@@ -169,14 +169,14 @@ static ReflItemList *twin_reflections(double *ref, ReflItemList *items,
}
total += lookup_intensity(ref, hu, ku, lu);
- sigma += pow(lookup_intensity(esds, hu, ku, lu), 2.0);
+ sigma += pow(lookup_sigma(esds, hu, ku, lu), 2.0);
}
if ( !skip ) {
set_intensity(ref, h, k, l, total);
- set_intensity(esds, h, k, l, sqrt(sigma));
+ set_sigma(esds, h, k, l, sqrt(sigma));
add_item(new, h, k, l);
}
@@ -348,7 +348,7 @@ int main(int argc, char *argv[])
} else {
phases = NULL;
}
- esds = new_list_intensity();
+ esds = new_list_sigma();
if ( input == NULL ) {
input_items = new_items();
ideal_ref = get_reflections(mol, eV_to_J(1790.0), 1/(0.05e-9),
diff --git a/src/process_hkl.c b/src/process_hkl.c
index 162b0bd6..689263bb 100644
--- a/src/process_hkl.c
+++ b/src/process_hkl.c
@@ -791,7 +791,7 @@ int main(int argc, char *argv[])
STATUS("Extra pass to calculate ESDs...\n");
devs = new_list_intensity();
- esds = new_list_intensity();
+ esds = new_list_sigma();
rewind(fh);
merge_all(fh, &model, &observed, &counts,
config_maxonly, config_scale, 0,
@@ -815,11 +815,11 @@ int main(int argc, char *argv[])
if ( count < 2 ) {
/* If we have only one measurement, the error is 100% */
- esd = lookup_intensity(model, h, k, l);
+ esd = lookup_sigma(model, h, k, l);
} else {
esd = sqrt(dev) / (double)count;
}
- set_intensity(esds, h, k, l, esd);
+ set_sigma(esds, h, k, l, esd);
}
diff --git a/src/reflections.c b/src/reflections.c
index 98fc9bab..4743aeee 100644
--- a/src/reflections.c
+++ b/src/reflections.c
@@ -26,7 +26,7 @@ double *poisson_esds(double *intensities, ReflItemList *items,
double adu_per_photon)
{
int i;
- double *esds = new_list_intensity();
+ double *esds = new_list_sigma();
for ( i=0; i<num_items(items); i++ ) {
@@ -45,7 +45,7 @@ double *poisson_esds(double *intensities, ReflItemList *items,
sigma = 0.0;
}
- set_intensity(esds, h, k, l, sigma);
+ set_sigma(esds, h, k, l, sigma);
}
@@ -110,7 +110,7 @@ void write_reflections(const char *filename, ReflItemList *items,
}
if ( esds != NULL ) {
- sigma = lookup_intensity(esds, h, k, l);
+ sigma = lookup_sigma(esds, h, k, l);
} else {
sigma = 0.0;
}