diff options
Diffstat (limited to 'src/process_hkl.c')
-rw-r--r-- | src/process_hkl.c | 16 |
1 files changed, 14 insertions, 2 deletions
diff --git a/src/process_hkl.c b/src/process_hkl.c index e76835a0..dfb84ee1 100644 --- a/src/process_hkl.c +++ b/src/process_hkl.c @@ -25,6 +25,7 @@ #include "statistics.h" #include "sfac.h" #include "reflections.h" +#include "likelihood.h" /* Number of divisions for R vs |q| graphs */ @@ -61,7 +62,11 @@ static void show_help(const char *s) " -r, --rvsq Output lists of R vs |q| (\"Luzzatti plots\")\n" " when analysing figures of merit.\n" " --zone-axis Output an [001] zone axis pattern each time the\n" -" figures of merit are analysed.\n"); +" figures of merit are analysed.\n" +" --detwin Correlate each new pattern with the current\n" +" model and choose the best fitting out of the\n" +" allowable twins.\n" +); } @@ -230,6 +235,7 @@ int main(int argc, char *argv[]) int config_stopafter = 0; int config_zoneaxis = 0; int config_sum = 0; + int config_detwin = 0; char *intfile = NULL; double *new_pattern = NULL; unsigned int *new_counts = NULL; @@ -246,7 +252,8 @@ int main(int argc, char *argv[]) {"stop-after", 1, NULL, 's'}, {"zone-axis", 0, &config_zoneaxis, 1}, {"compare-with", 0, NULL, 'c'}, - {"sum", 0, &config_sum, 1}, + {"sum", 0, &config_sum, 1}, + {"detwin", 0, &config_detwin, 1}, {0, 0, NULL, 0} }; @@ -362,6 +369,11 @@ int main(int argc, char *argv[]) continue; } + if ( config_detwin ) { + detwin_intensities(model, new_pattern, + model_counts, new_counts); + } + /* Start of second or later pattern */ merge_pattern(model, new_pattern, model_counts, new_counts, config_maxonly, config_sum); |