From 75d30a3f2a7d8484575f5b6ba6ed07587dc19f1e Mon Sep 17 00:00:00 2001 From: Thomas White Date: Fri, 22 Jan 2010 15:50:41 +0100 Subject: Add --near-bragg and --simulate options to indexamajig --- src/diffraction.c | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) (limited to 'src/diffraction.c') diff --git a/src/diffraction.c b/src/diffraction.c index a0248450..b7bdb75a 100644 --- a/src/diffraction.c +++ b/src/diffraction.c @@ -142,7 +142,9 @@ void get_diffraction(struct image *image, int na, int nb, int nc) double a, b, c, d; /* Generate the array of reciprocal space vectors in image->qvecs */ - get_ewald(image); + if ( image->qvecs == NULL ) { + get_ewald(image); + } if ( image->molecule == NULL ) { image->molecule = load_molecule(); -- cgit v1.2.3