diff options
Diffstat (limited to 'libcrystfel/src/index.h')
| -rw-r--r-- | libcrystfel/src/index.h | 85 |
1 files changed, 45 insertions, 40 deletions
diff --git a/libcrystfel/src/index.h b/libcrystfel/src/index.h index eaf6f912..15b21e25 100644 --- a/libcrystfel/src/index.h +++ b/libcrystfel/src/index.h @@ -38,6 +38,11 @@ #include <config.h> #endif +/** + * \file index.h + * The indexing subsystem + */ + #define INDEXING_DEFAULTS_DIRAX (INDEXING_DIRAX) @@ -59,62 +64,64 @@ #define INDEXING_DEFAULTS_XGANDALF (INDEXING_XGANDALF | INDEXING_USE_CELL_PARAMETERS) /** - * IndexingMethod: - * @INDEXING_NONE: No indexing to be performed - * @INDEXING_DIRAX: Invoke DirAx - * @INDEXING_MOSFLM: Invoke MOSFLM - * @INDEXING_FELIX: Invoke Felix - * @INDEXING_XDS: Invoke XDS - * @INDEXING_SIMULATION: Dummy value - * @INDEXING_DEBUG: Results injector for debugging - * @INDEXING_ASDF: Use in-built "asdf" indexer - * @INDEXING_TAKETWO: Use in-built "taketwo" indexer - * @INDEXING_XGANDALF: Invoke XGANDALF - * @INDEXING_ERROR: Special value for unrecognised indexing engine name - * @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. - * - * An enumeration of all the available indexing methods. The dummy value - * @INDEXING_SIMULATION is used by partial_sim to indicate that no indexing was - * performed, and that the indexing results are just from simulation. + * An enumeration of all the available indexing methods. **/ typedef enum { - INDEXING_NONE = 0, - - /* The core indexing methods themselves */ - INDEXING_DIRAX = 1, - INDEXING_MOSFLM = 2, - INDEXING_FELIX = 4, - INDEXING_XDS = 5, - INDEXING_SIMULATION = 6, - INDEXING_DEBUG = 7, - INDEXING_ASDF = 8, - INDEXING_TAKETWO = 9, - INDEXING_XGANDALF = 10, - - INDEXING_ERROR = 255, /* Unrecognised indexing engine */ - - /* Bits at the top of the IndexingMethod are flags which modify the - * behaviour of the indexer. */ + INDEXING_NONE = 0, /**< No indexing to be performed */ + + INDEXING_DIRAX = 1, /**< Invoke DirAx program */ + INDEXING_MOSFLM = 2, /**< Invoke MOSFLM program */ + INDEXING_FELIX = 4, /**< Invoke Felix program */ + INDEXING_XDS = 5, /**< Invoke XDS program (NB not nXDS) */ + INDEXING_SIMULATION = 6, /**< Dummy value for simulated data */ + INDEXING_DEBUG = 7, /**< Results injector for debugging */ + INDEXING_ASDF = 8, /**< Use built-in ASDF algorithm */ + INDEXING_TAKETWO = 9, /**< Use built-in TakeTwo algorithm */ + INDEXING_XGANDALF = 10, /**< Use XGANDALF (via optional library) */ + + INDEXING_ERROR = 255, /**< Special value for unrecognised indexing + * engine */ + + /** \name Bits which can be set to modify the behaviour of the above + * indexing methods */ + /**@{*/ + /** Use lattice type and centering information */ INDEXING_USE_LATTICE_TYPE = 2048, + + /** Use the cell parameters themselves */ INDEXING_USE_CELL_PARAMETERS = 4096, + /**@}*/ + } IndexingMethod; -/* This defines the bits in "IndexingMethod" which are used to represent the +/** This defines the bits in "IndexingMethod" which are used to represent the * core of the indexing method */ #define INDEXING_METHOD_MASK (0xff) +/** + * Flags affecting how the indexing system processes the results from the + * indexing engine + */ typedef enum { + /** Retry indexing if it doesn't work */ INDEXING_RETRY = 1, + + /** Attempt to index remaining peaks to find more lattices */ INDEXING_MULTI = 2, + + /** Refine the indexing solution */ INDEXING_REFINE = 4, + + /** Check the unit cell, including derivative lattices */ INDEXING_CHECK_CELL_COMBINATIONS = 8, + + /** Check the unit cell, only permuting axes if necessary */ INDEXING_CHECK_CELL_AXES = 16, + + /** Check that the peaks agree with the indexing solution */ INDEXING_CHECK_PEAKS = 32, } IndexingFlags; @@ -124,8 +131,6 @@ extern "C" { #endif /** - * IndexingPrivate: - * * This is an opaque data structure containing information needed by the * indexing system. **/ |