Added Miller index metadata to Peak3D
Resolves #116 (closed).
Miller index data was previously not stored in any core
object, instead being calculated as needed. In this branch I have added a MillerIndex
object as a private member of Peak3D
. It is assigned with a function call or for all peaks in a collection when Experiment::assignUnitCell
is called. I have also removed some unnecessary function calls to compute Miller indices, reducing the computational overhead.
Note that this also includes changes from !114 (merged), so please look at that first.