Give each RefinementBatch its own unit cell
Resolves #127 (closed)
The refiner had a pretty serious bug where each RefinementBatch
had a pointer to the same unit cell, thus after the refinement precess, the UnitCell for all batches was just the cell for the last batch. I have fixed this by passing the UnitCellHandler
object (generally owned by Experiment
) to Refiner
, and adding a new std::unique_ptr<UnitCell>
to the CellMap
for each batch.
Note that this seems to have the unintended side effect of breaking the cell symmetry during refinement.