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authorThomas White <taw@physics.org>2012-07-23 14:44:51 +0200
committerThomas White <taw@physics.org>2012-07-23 14:55:00 +0200
commite63626f4207fa58d3ea70b68f2862630d281598d (patch)
tree8c658cc072ffe08c09e6e484d955aad557a873c8 /src/process_hkl.c
parenta11e4f8c7396454574eb772a1951969c45c31cb6 (diff)
process_hkl: Add --no-polarisation option
Diffstat (limited to 'src/process_hkl.c')
-rw-r--r--src/process_hkl.c44
1 files changed, 27 insertions, 17 deletions
diff --git a/src/process_hkl.c b/src/process_hkl.c
index 26abfd4f..f9e9af99 100644
--- a/src/process_hkl.c
+++ b/src/process_hkl.c
@@ -73,6 +73,7 @@ static void show_help(const char *s)
" model.\n"
" --reference=<file> Compare against intensities from <file> when\n"
" scaling. \n"
+" --no-polarisation Disable polarisation correction.\n"
);
}
@@ -170,7 +171,8 @@ static double scale_intensities(RefList *reference, RefList *new,
static int merge_pattern(RefList *model, struct image *new, RefList *reference,
const SymOpList *sym,
double *hist_vals, signed int hist_h,
- signed int hist_k, signed int hist_l, int *hist_n)
+ signed int hist_k, signed int hist_l, int *hist_n,
+ int config_nopolar)
{
Reflection *refl;
RefListIterator *iter;
@@ -214,19 +216,23 @@ static int merge_pattern(RefList *model, struct image *new, RefList *reference,
intensity = scale * get_intensity(refl);
- /* Polarisation correction assuming 100% polarisation along the
- * x direction */
- xl = h*asx + k*bsx + l*csx;
- yl = h*asy + k*bsy + l*csy;
- zl = h*asz + k*bsz + l*csz;
+ if ( !config_nopolar ) {
- ool = 1.0 / new->lambda;
- tt = angle_between(0.0, 0.0, 1.0, xl, yl, zl+ool);
- phi = atan2(yl, xl);
- pa = pow(sin(phi)*sin(tt), 2.0);
- pb = pow(cos(tt), 2.0);
- pol = 1.0 - 2.0*(1.0-pa) + (1.0+pb);
- intensity /= pol;
+ /* Polarisation correction assuming 100% polarisation
+ * along the x direction */
+ xl = h*asx + k*bsx + l*csx;
+ yl = h*asy + k*bsy + l*csy;
+ zl = h*asz + k*bsz + l*csz;
+
+ ool = 1.0 / new->lambda;
+ tt = angle_between(0.0, 0.0, 1.0, xl, yl, zl+ool);
+ phi = atan2(yl, xl);
+ pa = pow(sin(phi)*sin(tt), 2.0);
+ pb = pow(cos(tt), 2.0);
+ pol = 1.0 - 2.0*(1.0-pa) + (1.0+pb);
+ intensity /= pol;
+
+ }
cur_intensity = get_intensity(model_version);
set_intensity(model_version, cur_intensity + intensity);
@@ -258,7 +264,7 @@ static void merge_all(FILE *fh, RefList *model, RefList *reference,
int n_total_patterns,
double *hist_vals, signed int hist_h,
signed int hist_k, signed int hist_l,
- int *hist_i)
+ int *hist_i, int config_nopolar)
{
int rval;
int n_patterns = 0;
@@ -289,7 +295,7 @@ static void merge_all(FILE *fh, RefList *model, RefList *reference,
r = merge_pattern(model, &image, reference, sym,
hist_vals, hist_h, hist_k, hist_l,
- hist_i);
+ hist_i, config_nopolar);
if ( r == 0 ) n_used++;
@@ -355,6 +361,7 @@ int main(int argc, char *argv[])
int hist_i;
int space_for_hist = 0;
char *histo_params = NULL;
+ int config_nopolar = 0;
/* Long options */
const struct option longopts[] = {
@@ -367,6 +374,8 @@ int main(int argc, char *argv[])
{"start-after", 1, NULL, 'f'},
{"sum", 0, &config_sum, 1},
{"scale", 0, &config_scale, 1},
+ {"no-polarisation", 0, &config_nopolar, 1},
+ {"no-polarization", 0, &config_nopolar, 1},
{"symmetry", 1, NULL, 'y'},
{"histogram", 1, NULL, 'g'},
{"hist-parameters", 1, NULL, 'z'},
@@ -503,7 +512,7 @@ int main(int argc, char *argv[])
hist_i = 0;
merge_all(fh, model, NULL, config_startafter, config_stopafter,
sym, n_total_patterns, hist_vals, hist_h, hist_k, hist_l,
- &hist_i);
+ &hist_i, config_nopolar);
if ( ferror(fh) ) {
ERROR("Stream read error.\n");
return 1;
@@ -526,7 +535,8 @@ int main(int argc, char *argv[])
merge_all(fh, model, reference,
config_startafter, config_stopafter, sym,
n_total_patterns,
- hist_vals, hist_h, hist_k, hist_l, &hist_i);
+ hist_vals, hist_h, hist_k, hist_l, &hist_i,
+ config_nopolar);
if ( ferror(fh) ) {
ERROR("Stream read error.\n");