diff options
Diffstat (limited to 'libcrystfel/src/predict-refine.c')
-rw-r--r-- | libcrystfel/src/predict-refine.c | 35 |
1 files changed, 32 insertions, 3 deletions
diff --git a/libcrystfel/src/predict-refine.c b/libcrystfel/src/predict-refine.c index 19c689cd..d45388b9 100644 --- a/libcrystfel/src/predict-refine.c +++ b/libcrystfel/src/predict-refine.c @@ -3,11 +3,11 @@ * * Prediction refinement * - * Copyright © 2012-2021 Deutsches Elektronen-Synchrotron DESY, + * Copyright © 2012-2023 Deutsches Elektronen-Synchrotron DESY, * a research centre of the Helmholtz Association. * * Authors: - * 2010-2020 Thomas White <taw@physics.org> + * 2010-2023 Thomas White <taw@physics.org> * 2016 Valerio Mariani * * This file is part of CrystFEL. @@ -37,6 +37,11 @@ #include "image.h" #include "geometry.h" #include "cell-utils.h" +#include "predict-refine.h" + +#ifdef HAVE_MILLEPEDE +#include <mille_c_wrap.h> +#endif /** \file predict-refine.h */ @@ -569,7 +574,7 @@ static void free_rps_noreflist(struct reflpeak *rps, int n) } -int refine_prediction(struct image *image, Crystal *cr) +int refine_prediction(struct image *image, Crystal *cr, Mille *mille) { int n; int i; @@ -654,5 +659,29 @@ int refine_prediction(struct image *image, Crystal *cr) return 1; } + if ( mille != NULL ) { + printf("Mille mode!\n"); + } + return 0; } + + +Mille *crystfel_mille_new(const char *outFileName, + int asBinary, + int writeZero) +{ + #ifdef HAVE_MILLEPEDE + return mille_new(outFileName, asBinary, writeZero); + #else + return NULL; + #endif +} + + +void crystfel_mille_free(Mille *m) +{ + #ifdef HAVE_MILLEPEDE + mille_free(m); + #endif +} |