diff options
| -rw-r--r-- | libcrystfel/src/felix.c | 114 |
1 files changed, 60 insertions, 54 deletions
diff --git a/libcrystfel/src/felix.c b/libcrystfel/src/felix.c index 2f90708d..be2928ac 100644 --- a/libcrystfel/src/felix.c +++ b/libcrystfel/src/felix.c @@ -553,60 +553,17 @@ int felix_index(struct image *image, IndexingPrivate *ipriv) } -IndexingPrivate *felix_prepare(IndexingMethod *indm, UnitCell *cell, - struct detector *det, float *ltl, - const char *options) -{ - struct felix_private *gp; - char *temp_options=NULL; - char *option=NULL; - - if ( cell == NULL ) { - ERROR("Felix needs a unit cell.\n"); - return NULL; - } - - if ( options != NULL ){ - temp_options = strdup(options); - } - gp = calloc(1, sizeof(*gp)); - if ( gp == NULL ) return NULL; - - /* Flags that Felix knows about */ - *indm &= INDEXING_METHOD_MASK | INDEXING_CHECK_PEAKS - | INDEXING_USE_LATTICE_TYPE | INDEXING_USE_CELL_PARAMETERS; - - gp->cell = cell; - gp->indm = *indm; +static void parse_options(const char *options, struct felix_private *gp) +{ + char *temp_options; + char *option; + char *freeme; - /* Default values of felix options */ - gp->spacegroup = 0; - gp->tthrange_min = 0; - gp->tthrange_max = 30.0; - gp->etarange_min = 0; - gp->etarange_max = 360; - gp->domega = 2; - gp->omegarange_min = -1.0; - gp->omegarange_max = 1.0; - gp->min_measurements = 15; - gp->min_completeness = 0.001; - gp->min_uniqueness = 0.5; - gp->n_voxels = 100; - gp->test_fraction = 0.75; - gp->sigma_tth = 0.15; - gp->sigma_eta = 0.2; - gp->sigma_omega = 0.2; - gp->n_sigmas = 2; - gp->force4frustums = 0; - gp->orispace_frustum = 1; - gp->orispace_octa = 0; - gp->readhkl_file = NULL; - gp->maxtime = 30.0; + temp_options = strdup(options); + freeme = temp_options; - /*Parse the options string and fill in the necessary private variables. */ - if (temp_options != NULL){ - while((option=strsep(&temp_options, ","))!=NULL) { + while ( (option=strsep(&temp_options, ",")) != NULL ) { if ( strncmp(option, "spacegroup=", 11) == 0 ){ gp->spacegroup = atoi(option+11); @@ -697,8 +654,60 @@ IndexingPrivate *felix_prepare(IndexingMethod *indm, UnitCell *cell, } } + + free(freeme); + free(option); +} + +IndexingPrivate *felix_prepare(IndexingMethod *indm, UnitCell *cell, + struct detector *det, float *ltl, + const char *options) +{ + struct felix_private *gp; + + if ( cell == NULL ) { + ERROR("Felix needs a unit cell.\n"); + return NULL; } + gp = calloc(1, sizeof(*gp)); + if ( gp == NULL ) return NULL; + + /* Flags that Felix knows about */ + *indm &= INDEXING_METHOD_MASK | INDEXING_CHECK_PEAKS + | INDEXING_USE_LATTICE_TYPE | INDEXING_USE_CELL_PARAMETERS; + + gp->cell = cell; + gp->indm = *indm; + + /* Default values of felix options */ + gp->spacegroup = 0; + gp->tthrange_min = 0; + gp->tthrange_max = 30.0; + gp->etarange_min = 0; + gp->etarange_max = 360; + gp->domega = 2; + gp->omegarange_min = -1.0; + gp->omegarange_max = 1.0; + gp->min_measurements = 15; + gp->min_completeness = 0.001; + gp->min_uniqueness = 0.5; + gp->n_voxels = 100; + gp->test_fraction = 0.75; + gp->sigma_tth = 0.15; + gp->sigma_eta = 0.2; + gp->sigma_omega = 0.2; + gp->n_sigmas = 2; + gp->force4frustums = 0; + gp->orispace_frustum = 1; + gp->orispace_octa = 0; + gp->readhkl_file = NULL; + gp->maxtime = 30.0; + + /* Parse the options string and fill in the necessary + * private variables. */ + if ( options != NULL ) parse_options(options, gp); + /* Make sure that they at least specified the spacegroup number.*/ if ( gp->spacegroup == 0 ) { @@ -707,9 +716,6 @@ IndexingPrivate *felix_prepare(IndexingMethod *indm, UnitCell *cell, return NULL; } - free(temp_options); - free(option); - return (IndexingPrivate *)gp; } |