void BSplineTransform<Rank>::SetupStep(Wavefunction<Rank> &psi, BSpline::Ptr bsplineObject, int baseRank)
{
using namespace blitz;
SetBaseRank(baseRank);
BSplineObject = bsplineObject;
/*
* Get shape of wavefunction (we are in the bspline repr).
* Then allocate bspline grid representation buffer of wavefunction
* and store buffer names on object.
*/
TinyVector<int, Rank> gridShape = psi.GetData().shape();
gridShape(baseRank) = BSplineObject->GetQuadratureGridGlobal().extent(0);
BSplineGridDataName = psi.AllocateData(gridShape);
BSplineDataName = psi.GetActiveBufferName();
//TempData.resize(BSplineObject->GetQuadratureGridGlobal().extent(0));
TempData.resize(BSplineObject->NumberOfBSplines);
}
void BSplineTransform<Rank>::InverseTransform(Wavefunction<Rank> &psi)
{
using namespace blitz;
if(psi.GetActiveBufferName() != BSplineDataName)
{
throw std::runtime_error("Active databuffer is not what is should be...");
}
//Project input and output into 3D arrays with bsplineRank in the middle.
Array<cplx, Rank> inputData(psi.GetData());
Array<cplx, Rank> outputData(psi.GetData(BSplineGridDataName));
Array<cplx, 3> input3d = MapToRank3(inputData, BaseRank, 1);
Array<cplx, 3> output3d = MapToRank3(outputData, BaseRank, 1);
int psiSliceExtent = input3d.extent(1);
Array<cplx, 1> psiSlice(psiSliceExtent);
output3d = 0;
int preCount = input3d.extent(0);
int postCount = input3d.extent(2);
for (int i=0; i<preCount; i++)
{
for (int j=0; j<postCount; j++)
{
/*
* Copy wavefunction slice along bspline rank to temp
* array.
*/
psiSlice = input3d(i, Range::all(), j).copy();
// Call on BSpline function to perform expansion
output3d(i, Range::all() , j) =
BSplineObject->ConstructFunctionFromBSplineExpansion(psiSlice);
}
}
psi.SetActiveBuffer(BSplineGridDataName);
}
void BSplineTransform<Rank>::ForwardTransform(Wavefunction<Rank> &psi)
{
using namespace blitz;
if(psi.GetActiveBufferName() != BSplineGridDataName)
{
throw std::runtime_error("Active databuffer is not what is should be...");
}
//Project input and output into 3D arrays with bsplineRank in the middle.
Array<cplx, Rank> srcData(psi.GetData());
Array<cplx, Rank> dstData(psi.GetData(BSplineDataName));
Array<cplx, 3> input3d = MapToRank3(srcData, BaseRank, 1);
Array<cplx, 3> output3d = MapToRank3(dstData, BaseRank, 1);
int psiSliceExtent = input3d.extent(1);
Array<cplx, 1> psiSlice(psiSliceExtent);
output3d = 0;
int preCount = input3d.extent(0);
int postCount = input3d.extent(2);
for (int i = 0; i < preCount; i++)
{
for (int j = 0; j < postCount; j++)
{
// View slice of psi along propagation direction
psiSlice = input3d(i, Range::all(), j);
// Call on BSpline function to perform expansion
TempData = 0;
BSplineObject->ExpandFunctionInBSplines(psiSlice, TempData);
output3d(i, Range::all() , j) = TempData;
}
}
psi.SetActiveBuffer(BSplineDataName);
}
