diff options
Diffstat (limited to 'libcrystfel/src/index.h')
| -rw-r--r-- | libcrystfel/src/index.h | 77 |
1 files changed, 27 insertions, 50 deletions
diff --git a/libcrystfel/src/index.h b/libcrystfel/src/index.h index 8b3aadeb..2aad377b 100644 --- a/libcrystfel/src/index.h +++ b/libcrystfel/src/index.h @@ -39,36 +39,22 @@ #endif -#define INDEXING_DEFAULTS_DIRAX (INDEXING_DIRAX | INDEXING_CHECK_PEAKS \ - | INDEXING_CHECK_CELL_COMBINATIONS \ - | INDEXING_RETRY | INDEXING_REFINE) - -#define INDEXING_DEFAULTS_ASDF (INDEXING_ASDF | INDEXING_CHECK_PEAKS \ - | INDEXING_CHECK_CELL_COMBINATIONS \ - | INDEXING_RETRY | INDEXING_REFINE) - -#define INDEXING_DEFAULTS_MOSFLM (INDEXING_MOSFLM | INDEXING_CHECK_PEAKS \ - | INDEXING_CHECK_CELL_COMBINATIONS \ - | INDEXING_USE_LATTICE_TYPE \ - | INDEXING_USE_CELL_PARAMETERS \ - | INDEXING_RETRY | INDEXING_REFINE) - -#define INDEXING_DEFAULTS_FELIX (INDEXING_FELIX \ - | INDEXING_USE_LATTICE_TYPE \ - | INDEXING_USE_CELL_PARAMETERS \ - | INDEXING_RETRY | INDEXING_REFINE) - -#define INDEXING_DEFAULTS_TAKETWO (INDEXING_TAKETWO | INDEXING_CHECK_PEAKS \ - | INDEXING_USE_CELL_PARAMETERS \ - | INDEXING_USE_LATTICE_TYPE \ - | INDEXING_RETRY | INDEXING_REFINE) - -/* Axis check is needed for XDS, because it likes to permute the axes */ -#define INDEXING_DEFAULTS_XDS (INDEXING_XDS | INDEXING_USE_LATTICE_TYPE \ - | INDEXING_USE_CELL_PARAMETERS \ - | INDEXING_CHECK_CELL_AXES \ - | INDEXING_CHECK_PEAKS \ - | INDEXING_RETRY | INDEXING_REFINE) +#define INDEXING_DEFAULTS_DIRAX (INDEXING_DIRAX) + +#define INDEXING_DEFAULTS_ASDF (INDEXING_ASDF) + +#define INDEXING_DEFAULTS_MOSFLM (INDEXING_MOSFLM | INDEXING_USE_LATTICE_TYPE \ + | INDEXING_USE_CELL_PARAMETERS) + +#define INDEXING_DEFAULTS_FELIX (INDEXING_FELIX | INDEXING_USE_LATTICE_TYPE \ + | INDEXING_USE_CELL_PARAMETERS) + +#define INDEXING_DEFAULTS_TAKETWO (INDEXING_TAKETWO \ + | INDEXING_USE_CELL_PARAMETERS \ + | INDEXING_USE_LATTICE_TYPE) + +#define INDEXING_DEFAULTS_XDS (INDEXING_XDS | INDEXING_USE_LATTICE_TYPE \ + | INDEXING_USE_CELL_PARAMETERS) /** * IndexingMethod: @@ -82,21 +68,10 @@ * @INDEXING_ASDF: Use in-built "asdf" indexer * @INDEXING_TAKETWO: Use in-built "taketwo" indexer * @INDEXING_ERROR: Special value for unrecognised indexing engine name - * @INDEXING_CHECK_CELL_COMBINATIONS: Check linear combinations of unit cell - * axes for agreement with given cell. - * @INDEXING_CHECK_CELL_AXES: Check unit cell axes for agreement with given - * cell, and permute them if necessary. - * @INDEXING_CHECK_PEAKS: Check that the peaks can be explained by the indexing - * result. * @INDEXING_USE_LATTICE_TYPE: Use lattice type and centering information to * guide the indexing process. * @INDEXING_USE_CELL_PARAMETERS: Use the unit cell parameters to guide the * indexing process. - * @INDEXING_RETRY: If the indexer doesn't succeed, delete the weakest peaks - * and try again. - * @INDEXING_MULTI: If the indexer succeeds, delete the peaks explained by the - * lattice and try again in the hope of finding another crystal. - * @INDEXING_REFINE: Perform "prediction refinement" after indexing. * * An enumeration of all the available indexing methods. The dummy value * @INDEXING_SIMULATION is used by partial_sim to indicate that no indexing was @@ -120,14 +95,8 @@ typedef enum { /* 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, INDEXING_USE_CELL_PARAMETERS = 4096, - INDEXING_RETRY = 8192, - INDEXING_MULTI = 16384, - INDEXING_REFINE = 32768, } IndexingMethod; @@ -135,8 +104,16 @@ typedef enum { * core of the indexing method */ #define INDEXING_METHOD_MASK (0xff) -/* Indexing flags which the indexing method does not need to know about */ -#define INDEXING_CONTROL_FLAGS (INDEXING_RETRY | INDEXING_MULTI | INDEXING_REFINE) +typedef enum { + + INDEXING_RETRY = 1, + INDEXING_MULTI = 2, + INDEXING_REFINE = 4, + INDEXING_CHECK_CELL_COMBINATIONS = 8, + INDEXING_CHECK_CELL_AXES = 16, + INDEXING_CHECK_PEAKS = 32, + +} IndexingFlags; #ifdef __cplusplus extern "C" { @@ -162,7 +139,7 @@ extern IndexingMethod get_indm_from_string(const char *method); extern IndexingPrivate *setup_indexing(const char *methods, UnitCell *cell, struct detector *det, float *ltl, - int no_refine, const char *options, + IndexingFlags flags, const char *options, struct taketwo_options *ttopts); extern void index_pattern(struct image *image, IndexingPrivate *ipriv); |