From a1ee07e0887bd23491218301ad440a4ad2efb24f Mon Sep 17 00:00:00 2001 From: Thomas White Date: Wed, 6 Feb 2013 20:07:56 +0100 Subject: Stuff --- libcrystfel/src/crystal.c | 18 +++++++++++++----- libcrystfel/src/crystal.h | 2 ++ libcrystfel/src/dirax.c | 2 -- 3 files changed, 15 insertions(+), 7 deletions(-) (limited to 'libcrystfel') diff --git a/libcrystfel/src/crystal.c b/libcrystfel/src/crystal.c index 6ff251e0..664d933e 100644 --- a/libcrystfel/src/crystal.c +++ b/libcrystfel/src/crystal.c @@ -106,8 +106,6 @@ Crystal *crystal_new() void crystal_free(Crystal *cryst) { if ( cryst == NULL ) return; - if ( cryst->cell != NULL ) cell_free(cryst->cell); - if ( cryst->reflections != NULL ) reflist_free(cryst->reflections); free(cryst); } @@ -163,13 +161,18 @@ int crystal_get_user_flag(Crystal *cryst) } +double crystal_get_mosaicity(Crystal *cryst) +{ + return cryst->m; +} + + /********************************** Setters ***********************************/ void crystal_set_cell(Crystal *cryst, UnitCell *cell) { - if ( cryst->cell != NULL ) cell_free(cryst->cell); - cryst->cell = cell_new_from_cell(cell); + cryst->cell = cell; } @@ -181,7 +184,6 @@ void crystal_set_profile_radius(Crystal *cryst, double r) void crystal_set_reflections(Crystal *cryst, RefList *reflist) { - if ( cryst->reflections != NULL ) reflist_free(reflist); cryst->reflections = reflist; } @@ -214,3 +216,9 @@ void crystal_set_user_flag(Crystal *cryst, int user_flag) { cryst->user_flag = user_flag; } + + +void crystal_set_mosaicity(Crystal *cryst, double m) +{ + cryst->m = m; +} diff --git a/libcrystfel/src/crystal.h b/libcrystfel/src/crystal.h index f7c49a81..3d0ad9d1 100644 --- a/libcrystfel/src/crystal.h +++ b/libcrystfel/src/crystal.h @@ -58,6 +58,7 @@ extern long long int crystal_get_num_saturated_reflections(Crystal *cryst); extern int crystal_get_user_flag(Crystal *cryst); extern double crystal_get_osf(Crystal *cryst); extern struct image *crystal_get_image(Crystal *cryst); +extern double crystal_get_mosaicity(Crystal *cryst); extern void crystal_set_cell(Crystal *cryst, UnitCell *cell); extern void crystal_set_profile_radius(Crystal *cryst, double r); @@ -68,5 +69,6 @@ extern void crystal_set_num_saturated_reflections(Crystal *cryst, extern void crystal_set_user_flag(Crystal *cryst, int flag); extern void crystal_set_osf(Crystal *cryst, double osf); extern void crystal_set_image(Crystal *cryst, struct image *image); +extern void crystal_set_mosaicity(Crystal *cryst, double m); #endif /* CRYSTAL_H */ diff --git a/libcrystfel/src/dirax.c b/libcrystfel/src/dirax.c index 6fbb9663..2cbb0ec1 100644 --- a/libcrystfel/src/dirax.c +++ b/libcrystfel/src/dirax.c @@ -140,8 +140,6 @@ static int check_cell(struct dirax_private *dp, struct image *image, image_add_crystal(image, cr); - cell_free(out); /* Crystal makes its own copy */ - return 1; } -- cgit v1.2.3