diff options
Diffstat (limited to 'libcrystfel/src/index.h')
| -rw-r--r-- | libcrystfel/src/index.h | 91 |
1 files changed, 61 insertions, 30 deletions
diff --git a/libcrystfel/src/index.h b/libcrystfel/src/index.h index b2d7553d..d550468b 100644 --- a/libcrystfel/src/index.h +++ b/libcrystfel/src/index.h @@ -3,13 +3,13 @@ * * Perform indexing (somehow) * - * Copyright © 2012 Deutsches Elektronen-Synchrotron DESY, - * a research centre of the Helmholtz Association. + * Copyright © 2012-2013 Deutsches Elektronen-Synchrotron DESY, + * a research centre of the Helmholtz Association. * Copyright © 2012 Richard Kirian * Copyright © 2012 Lorenzo Galli * * Authors: - * 2010-2012 Thomas White <taw@physics.org> + * 2010-2013 Thomas White <taw@physics.org> * 2010 Richard Kirian * 2012 Lorenzo Galli * @@ -38,48 +38,79 @@ #endif +#include "beam-parameters.h" #include "cell.h" #include "image.h" #include "detector.h" -/* Indexing methods */ +#define INDEXING_DEFAULTS_DIRAX (INDEXING_DIRAX | INDEXING_CHECK_PEAKS \ + | INDEXING_CHECK_CELL_COMBINATIONS) + +#define INDEXING_DEFAULTS_MOSFLM (INDEXING_MOSFLM | INDEXING_CHECK_PEAKS \ + | INDEXING_CHECK_CELL_COMBINATIONS \ + | INDEXING_USE_LATTICE_TYPE) + +#define INDEXING_DEFAULTS_REAX (INDEXING_REAX | INDEXING_USE_LATTICE_TYPE \ + | INDEXING_CHECK_PEAKS) + +#define INDEXING_DEFAULTS_GRAINSPOTTER (INDEXING_GRAINSPOTTER \ + | INDEXING_USE_LATTICE_TYPE \ + | INDEXING_CHECK_PEAKS) + +/** + * IndexingMethod: + * @INDEXING_NONE: No indexing to be performed + * @INDEXING_DIRAX: Invoke DirAx + * @INDEXING_MOSFLM: Invoke MOSFLM + * @INDEXING_REAX: DPS algorithm using known cell parameters + * + * An enumeration of all the available indexing methods. + **/ typedef enum { - INDEXING_NONE, - INDEXING_DIRAX, - INDEXING_MOSFLM, - INDEXING_XDS, - INDEXING_REAX, -} IndexingMethod; + INDEXING_NONE = 0, -/* Cell reduction methods */ -enum { - CELLR_NONE, - CELLR_REDUCE, - CELLR_COMPARE, - CELLR_COMPARE_AB, -}; + /* The core indexing methods themselves */ + INDEXING_DIRAX = 1, + INDEXING_MOSFLM = 2, + INDEXING_REAX = 3, + INDEXING_GRAINSPOTTER = 4, + INDEXING_XDS = 5, + /* Bits at the top of the IndexingMethod are flags which modify the + * behaviour of the indexer. */ + INDEXING_CHECK_CELL_COMBINATIONS = 256, + INDEXING_CHECK_CELL_AXES = 512, + INDEXING_CHECK_PEAKS = 1024, + INDEXING_USE_LATTICE_TYPE = 2048, -typedef struct _indexingprivate IndexingPrivate; +} IndexingMethod; -extern IndexingPrivate *indexing_private(IndexingMethod indm); +/* This defines the bits in "IndexingMethod" which are used to represent the + * core of the indexing method */ +#define INDEXING_METHOD_MASK (0xff) -extern IndexingPrivate **prepare_indexing(IndexingMethod *indm, UnitCell *cell, - const char *filename, - struct detector *det, - double nominal_photon_energy); -extern void map_all_peaks(struct image *image); +/** + * IndexingPrivate: + * + * This is an opaque data structure containing information needed by the + * indexing method. + **/ +typedef void *IndexingPrivate; -extern void index_pattern(struct image *image, UnitCell *cell, - IndexingMethod *indm, int cellr, int verbose, - IndexingPrivate **priv, int config_insane, - const float *ltl); +extern IndexingMethod *build_indexer_list(const char *str); +extern char *indexer_str(IndexingMethod indm); + +extern IndexingPrivate **prepare_indexing(IndexingMethod *indm, UnitCell *cell, + const char *filename, + struct detector *det, + struct beam_params *beam, float *ltl); -extern void cleanup_indexing(IndexingPrivate **priv); +extern void index_pattern(struct image *image, + IndexingMethod *indms, IndexingPrivate **iprivs); -extern IndexingMethod *build_indexer_list(const char *str, int *need_cell); +extern void cleanup_indexing(IndexingMethod *indms, IndexingPrivate **privs); #endif /* INDEX_H */ |