diff options
Diffstat (limited to 'libcrystfel/src/index.c')
| -rw-r--r-- | libcrystfel/src/index.c | 65 |
1 files changed, 43 insertions, 22 deletions
diff --git a/libcrystfel/src/index.c b/libcrystfel/src/index.c index fd4384d7..2370e26e 100644 --- a/libcrystfel/src/index.c +++ b/libcrystfel/src/index.c @@ -61,7 +61,7 @@ static const char *maybes(int n) IndexingPrivate **prepare_indexing(IndexingMethod *indm, UnitCell *cell, const char *filename, struct detector *det, - double nominal_photon_energy, float *ltl) + struct beam_params *beam, float *ltl) { int n; int nm = 0; @@ -76,7 +76,8 @@ IndexingPrivate **prepare_indexing(IndexingMethod *indm, UnitCell *cell, switch ( indm[n] & INDEXING_METHOD_MASK ) { case INDEXING_DIRAX : - iprivs[n] = NULL; + iprivs[n] = dirax_prepare(indm[nm], cell, filename, det, + beam, ltl); break; case INDEXING_MOSFLM : @@ -84,7 +85,7 @@ IndexingPrivate **prepare_indexing(IndexingMethod *indm, UnitCell *cell, break; case INDEXING_REAX : - iprivs[n] = reax_prepare(cell, filename, det); + iprivs[n] = reax_prepare(cell, filename, det, beam); break; default : @@ -101,35 +102,30 @@ IndexingPrivate **prepare_indexing(IndexingMethod *indm, UnitCell *cell, } -void cleanup_indexing(IndexingPrivate **priv) +void cleanup_indexing(IndexingMethod *indms, IndexingPrivate **privs) { int n = 0; - if ( priv == NULL ) return; /* Nothing to do */ + if ( indms == NULL ) return; /* Nothing to do */ + if ( privs == NULL ) return; /* Nothing to do */ - while ( priv[n] != NULL ) { + while ( indms[n] != INDEXING_NONE ) { - switch ( priv[n]->indm & INDEXING_METHOD_MASK ) { + switch ( indms[n] & INDEXING_METHOD_MASK ) { case INDEXING_NONE : - free(priv[n]); - break; - case INDEXING_DIRAX : - free(priv[n]); - break; - case INDEXING_MOSFLM : - free(priv[n]); + /* No cleanup */ break; case INDEXING_REAX : - reax_cleanup(priv[n]); + reax_cleanup(privs[n]); break; default : ERROR("Don't know how to clean up indexing method %i\n", - priv[n]->indm); + indms[n]); break; } @@ -162,19 +158,43 @@ void map_all_peaks(struct image *image) } -static void try_indexer(struct image *image, IndexingMethod indm, +/* Return non-zero for "success" */ +static int try_indexer(struct image *image, IndexingMethod indm, IndexingPrivate *ipriv) { + switch ( indm & INDEXING_METHOD_MASK ) { + + case INDEXING_NONE : + break; + + case INDEXING_DIRAX : + return run_dirax(image, ipriv); + break; + + case INDEXING_MOSFLM : + return run_mosflm(image, ipriv); + break; + + case INDEXING_REAX : + return reax_index(image, ipriv); + break; + + default : + ERROR("Unrecognised indexing method: %i\n", indm); + break; + + } + + return 0; } void index_pattern(struct image *image, IndexingMethod *indms, IndexingPrivate **iprivs) { - int i; int n = 0; - if ( indm == NULL ) return; + if ( indms == NULL ) return; map_all_peaks(image); image->crystals = NULL; @@ -182,7 +202,7 @@ void index_pattern(struct image *image, while ( indms[n] != INDEXING_NONE ) { - if ( try_indexer(image, indms[n], iprivs[i]) ) break; + if ( try_indexer(image, indms[n], iprivs[n]) ) break; n++; } @@ -216,7 +236,8 @@ static IndexingMethod set_bad(IndexingMethod a) /* Set the indexer flags for "axes mode" ("--cell-reduction=compare") */ static IndexingMethod set_axes(IndexingMethod a) { - return (a & ~INDEXING_CHECK_COMBINATIONS) | INDEXING_CHECK_CELL_AXES; + return (a & ~INDEXING_CHECK_CELL_COMBINATIONS) + | INDEXING_CHECK_CELL_AXES; } @@ -234,7 +255,7 @@ IndexingMethod *build_indexer_list(const char *str, int *need_cell) n = assplode(str, ",-", &methods, ASSPLODE_NONE); list = malloc((n+1)*sizeof(IndexingMethod)); - *nmeth = -1; /* So that the first method is #0 */ + nmeth = -1; /* So that the first method is #0 */ for ( i=0; i<n; i++ ) { if ( strcmp(methods[i], "dirax") == 0) { |