diff options
| -rw-r--r-- | libcrystfel/src/crystal.c | 19 | ||||
| -rw-r--r-- | libcrystfel/src/crystal.h | 8 |
2 files changed, 21 insertions, 6 deletions
diff --git a/libcrystfel/src/crystal.c b/libcrystfel/src/crystal.c index c6e0a9dd..e1ad5dfe 100644 --- a/libcrystfel/src/crystal.c +++ b/libcrystfel/src/crystal.c @@ -3,11 +3,11 @@ * * A class representing a single crystal * - * Copyright © 2013 Deutsches Elektronen-Synchrotron DESY, - * a research centre of the Helmholtz Association. + * Copyright © 2013-2015 Deutsches Elektronen-Synchrotron DESY, + * a research centre of the Helmholtz Association. * * Authors: - * 2013 Thomas White <taw@physics.org> + * 2013-2015 Thomas White <taw@physics.org> * * This file is part of CrystFEL. * @@ -56,6 +56,7 @@ struct _crystal UnitCell *cell; double m; /* Mosaicity in radians */ double osf; + double Bfac; double profile_radius; int pr_dud; double resolution_limit; @@ -188,6 +189,12 @@ double crystal_get_osf(Crystal *cryst) } +double crystal_get_Bfac(Crystal *cryst) +{ + return cryst->Bfac; +} + + int crystal_get_user_flag(Crystal *cryst) { return cryst->user_flag; @@ -251,6 +258,12 @@ void crystal_set_osf(Crystal *cryst, double osf) } +void crystal_set_Bfac(Crystal *cryst, double Bfac) +{ + cryst->Bfac = Bfac; +} + + void crystal_set_user_flag(Crystal *cryst, int user_flag) { cryst->user_flag = user_flag; diff --git a/libcrystfel/src/crystal.h b/libcrystfel/src/crystal.h index 987cabbf..6863f666 100644 --- a/libcrystfel/src/crystal.h +++ b/libcrystfel/src/crystal.h @@ -3,11 +3,11 @@ * * A class representing a single crystal * - * Copyright © 2013 Deutsches Elektronen-Synchrotron DESY, - * a research centre of the Helmholtz Association. + * Copyright © 2013-2015 Deutsches Elektronen-Synchrotron DESY, + * a research centre of the Helmholtz Association. * * Authors: - * 2013 Thomas White <taw@physics.org> + * 2013-2015 Thomas White <taw@physics.org> * * This file is part of CrystFEL. * @@ -62,6 +62,7 @@ extern long long int crystal_get_num_saturated_reflections(Crystal *cryst); extern long long int crystal_get_num_implausible_reflections(Crystal *cryst); extern int crystal_get_user_flag(Crystal *cryst); extern double crystal_get_osf(Crystal *cryst); +extern double crystal_get_Bfac(Crystal *cryst); extern struct image *crystal_get_image(Crystal *cryst); extern double crystal_get_mosaicity(Crystal *cryst); @@ -75,6 +76,7 @@ extern void crystal_set_num_implausible_reflections(Crystal *cryst, long long int n); extern void crystal_set_user_flag(Crystal *cryst, int flag); extern void crystal_set_osf(Crystal *cryst, double osf); +extern void crystal_set_Bfac(Crystal *cryst, double B); extern void crystal_set_image(Crystal *cryst, struct image *image); extern void crystal_set_mosaicity(Crystal *cryst, double m); |