From f7d118ec0bc9e7dd964bbb9a8bc4fad46b8412d7 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Wed, 13 Jan 2010 10:46:44 +0100 Subject: Make DirAx use optional --- src/indexamajig.c | 15 +++++++++++---- 1 file changed, 11 insertions(+), 4 deletions(-) (limited to 'src/indexamajig.c') diff --git a/src/indexamajig.c b/src/indexamajig.c index 7c2e1b5d..7f863a65 100644 --- a/src/indexamajig.c +++ b/src/indexamajig.c @@ -23,7 +23,7 @@ #include "utils.h" #include "hdf5-file.h" -#include "dirax.h" +#include "index.h" #include "intensities.h" #include "ewald.h" #include "peaks.h" @@ -39,8 +39,10 @@ static void show_help(const char *s) "\n" " -i, --input= Specify file containing list of images to process.\n" " '-' means stdin, which is the default.\n" -" --no-index Do everything else (including fine peak search),\n" -" but don't invoke the indexing program.\n" +" --no-index Do everything else (including fine peak search and\n" +" writing 'xfel.drx' if DirAx is being used), but\n" +" don't actually index.\n" +" --dirax Use DirAx for indexing.\n" "\n"); } @@ -55,6 +57,7 @@ int main(int argc, char *argv[]) int n_hits; int config_noindex = 0; int config_dumpfound = 0; + int config_dirax = 0; /* Long options */ const struct option longopts[] = { @@ -62,6 +65,7 @@ int main(int argc, char *argv[]) {"input", 1, NULL, 'i'}, {"no-index", 0, &config_noindex, 1}, {"dump-found-peaks", 0, &config_dumpfound, 1}, + {"dirax", 0, &config_dirax, 1}, {0, 0, NULL, 0} }; @@ -135,7 +139,10 @@ int main(int argc, char *argv[]) if ( fom > 0 ) { /* Calculate orientation matrix (by magic) */ - index_pattern(&image, config_noindex, config_dumpfound); + index_pattern(&image, config_noindex, config_dumpfound, + config_dirax); + + if ( image.molecule == NULL ) continue; /* View head-on (unit cell is tilted) */ image.orientation.x = 0.0; -- cgit v1.2.3