diff options
| author | Thomas White <taw@physics.org> | 2017-09-22 15:13:15 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2017-09-22 15:13:15 +0200 |
| commit | b685aaff356c970d13439033b1d7754ac9ab15df (patch) | |
| tree | 4e8a07b90ec117c38fdf10edcf6453055c08e9a0 | |
| parent | d9982145681e16b896d275e297fe6fc0bb406692 (diff) | |
Remove "latt" from asdf
For consistency with other algorithms, let's standardise on an
interpretation where just using the centering information in combination
with the cell parameters, which is always necessary, doesn't qualify as
"cell-latt", only "cell-nolatt".
"Using lattice type as prior information" implies that asdf would behave
differently with cell-nolatt, if it were allowed, than with cell-latt.
It wouldn't. It just needs the centering to calculate the cell volume
correctly.
Note that TakeTwo, by contrast, would behave differently in this
hypothetical case, because it uses the lattice type to exclude certain
solutions by symmetry.
Mosflm allows all four combinations of no/cell and no/latt, and does
indeed behave differently between them.
| -rw-r--r-- | libcrystfel/src/asdf.c | 13 | ||||
| -rw-r--r-- | libcrystfel/src/index.h | 3 |
2 files changed, 2 insertions, 14 deletions
diff --git a/libcrystfel/src/asdf.c b/libcrystfel/src/asdf.c index 22fe3320..e65007c5 100644 --- a/libcrystfel/src/asdf.c +++ b/libcrystfel/src/asdf.c @@ -1171,18 +1171,7 @@ void *asdf_prepare(IndexingMethod *indm, UnitCell *cell, struct asdf_private *dp; /* Flags that asdf knows about */ - *indm &= INDEXING_METHOD_MASK - | INDEXING_USE_CELL_PARAMETERS | INDEXING_USE_LATTICE_TYPE; - - if ( ((*indm & INDEXING_USE_LATTICE_TYPE) - && !(*indm & INDEXING_USE_CELL_PARAMETERS)) - || ((*indm & INDEXING_USE_CELL_PARAMETERS) - && !(*indm & INDEXING_USE_LATTICE_TYPE)) ) - { - ERROR("Invalid asdf options: " - "try asdf-nolatt-nocell or asdf-latt-cell.\n"); - return NULL; - } + *indm &= INDEXING_METHOD_MASK | INDEXING_USE_CELL_PARAMETERS; dp = malloc(sizeof(struct asdf_private)); if ( dp == NULL ) return NULL; diff --git a/libcrystfel/src/index.h b/libcrystfel/src/index.h index 516a9368..ac386390 100644 --- a/libcrystfel/src/index.h +++ b/libcrystfel/src/index.h @@ -41,8 +41,7 @@ #define INDEXING_DEFAULTS_DIRAX (INDEXING_DIRAX) -#define INDEXING_DEFAULTS_ASDF (INDEXING_ASDF | INDEXING_USE_LATTICE_TYPE \ - | INDEXING_USE_CELL_PARAMETERS) +#define INDEXING_DEFAULTS_ASDF (INDEXING_ASDF | INDEXING_USE_CELL_PARAMETERS) #define INDEXING_DEFAULTS_MOSFLM (INDEXING_MOSFLM | INDEXING_USE_LATTICE_TYPE \ | INDEXING_USE_CELL_PARAMETERS) |