From d8358c2158154ed14af37edb46b44f6c7b9feebb Mon Sep 17 00:00:00 2001 From: Thomas White Date: Thu, 4 Mar 2010 19:04:49 +0100 Subject: process_hkl: don't write output in results/, improve error message, output ZA with --no-analyse --zone-axis --- src/process_hkl.c | 12 ++++++++++-- 1 file changed, 10 insertions(+), 2 deletions(-) (limited to 'src/process_hkl.c') diff --git a/src/process_hkl.c b/src/process_hkl.c index abb4422f..d110695b 100644 --- a/src/process_hkl.c +++ b/src/process_hkl.c @@ -161,13 +161,13 @@ static void process_reflections(double *ref, double *trueref, if ( do_rvsq ) { /* Record graph of R against q for this N */ char name[64]; - snprintf(name, 63, "results/R_vs_q-%u.dat", n_patterns); + snprintf(name, 63, "R_vs_q-%u.dat", n_patterns); write_RvsQ(name, ref, trueref, counts, scale, cell); } if ( do_zoneaxis ) { char name[64]; - snprintf(name, 63, "results/ZA-%u.dat", n_patterns); + snprintf(name, 63, "ZA-%u.dat", n_patterns); write_reflections(name, counts, ref, 1, cell); } @@ -342,6 +342,14 @@ int main(int argc, char *argv[]) write_reflections(output, counts, ref, 0, cell); } + if ( config_zoneaxis ) { + char name[64]; + UnitCell *cell = NULL; + if ( mol != NULL ) cell = mol->cell; + snprintf(name, 63, "ZA-%u.dat", n_patterns); + write_reflections(name, counts, ref, 1, cell); + } + STATUS("There were %u patterns.\n", n_patterns); return 0; -- cgit v1.2.3