diff options
| -rw-r--r-- | julia/CrystFEL/src/CrystFEL.jl | 2 | ||||
| -rw-r--r-- | julia/CrystFEL/src/cell.jl | 18 |
2 files changed, 18 insertions, 2 deletions
diff --git a/julia/CrystFEL/src/CrystFEL.jl b/julia/CrystFEL/src/CrystFEL.jl index 7aa5b5fe..9ab5d15f 100644 --- a/julia/CrystFEL/src/CrystFEL.jl +++ b/julia/CrystFEL/src/CrystFEL.jl @@ -34,7 +34,7 @@ export TetragonalLattice, HexagonalLattice, RhombohedralLattice, CubicLattice export PrimitiveCell, ACenteredCell, BCenteredCell, CCenteredCell export BodyCenteredCell, FaceCenteredCell, RhombohedralCell, RhombohedralCellOnHexagonalAxes export NoUniqueAxis, UnknownUniqueAxis, UniqueAxisA, UniqueAxisB, UniqueAxisC -export rotatecell +export rotatecell, compare_reindexed_cell_parameters include("detgeom.jl") using .DetGeoms diff --git a/julia/CrystFEL/src/cell.jl b/julia/CrystFEL/src/cell.jl index a18810bb..d8e72799 100644 --- a/julia/CrystFEL/src/cell.jl +++ b/julia/CrystFEL/src/cell.jl @@ -10,7 +10,7 @@ export TetragonalLattice, HexagonalLattice, RhombohedralLattice, CubicLattice export PrimitiveCell, ACenteredCell, BCenteredCell, CCenteredCell export BodyCenteredCell, FaceCenteredCell, RhombohedralCell, RhombohedralCellOnHexagonalAxes export NoUniqueAxis, UnknownUniqueAxis, UniqueAxisA, UniqueAxisB, UniqueAxisC -export rotatecell +export rotatecell, compare_reindexed_cell_parameters # Represents the real C-side (opaque) structure. @@ -427,4 +427,20 @@ Equivalent to CrystFEL routine `cell_rotate(uc, random_quaternion(<rng>))`. rotatecell(uc) = rotatecell(uc, randomquat()) +""" + compare_reindexed_cell_parameters(uc, reference, tols) + +""" +function compare_reindexed_cell_parameters(uc, reference, tols) + out = @ccall libcrystfel.compare_reindexed_cell_parameters(uc.internalptr::Ptr{InternalUnitCell}, + reference.internalptr::Ptr{InternalUnitCell}, + collect(Cdouble,tols)::Ptr{Cdouble}, + C_NULL::Ptr{Cvoid})::Ptr{InternalUnitCell} + if out == C_NULL + throw(ErrorException("Cell comparison failed")) + end + UnitCell(out) +end + + end # of module |