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including tfinal when integrating an orbit #98

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38c6217
Update BiorthBasis.H
M1ssing-N0 Dec 15, 2024
ee3a858
Update BiorthBasis.cc
M1ssing-N0 Dec 15, 2024
8be6477
Update BasisWrappers.cc
M1ssing-N0 Dec 15, 2024
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5 changes: 3 additions & 2 deletions expui/BiorthBasis.H
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Original file line number Diff line number Diff line change
Expand Up @@ -3,6 +3,7 @@

#include <functional>
#include <tuple>
#include <optional>

#include <Eigen/Eigen>
#include <unsupported/Eigen/CXX11/Tensor> // For 3d rectangular grids
Expand Down Expand Up @@ -1033,9 +1034,9 @@ namespace BasisClasses


std::tuple<Eigen::VectorXd, Eigen::Tensor<float, 3>>
IntegrateOrbits (double tinit, double tfinal, double h,
IntegrateOrbits (double tinit, double tfinal,
Eigen::MatrixXd ps, std::vector<BasisCoef> bfe,
AccelFunctor F, int nout=std::numeric_limits<int>::max());
AccelFunctor F, std::optional<double> h=std::nullopt, std::optional<int> nout=std::nullopt);

using BiorthBasisPtr = std::shared_ptr<BiorthBasis>;
}
Expand Down
86 changes: 57 additions & 29 deletions expui/BiorthBasis.cc
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Expand Up @@ -3147,9 +3147,9 @@ namespace BasisClasses

std::tuple<Eigen::VectorXd, Eigen::Tensor<float, 3>>
IntegrateOrbits
(double tinit, double tfinal, double h,
(double tinit, double tfinal,
Eigen::MatrixXd ps, std::vector<BasisCoef> bfe, AccelFunctor F,
int nout)
std::optional<double> h, std::optional<int> nout)
{
int rows = ps.rows();
int cols = ps.cols();
Expand All @@ -3169,37 +3169,70 @@ namespace BasisClasses

// Sanity check
//
if ( (tfinal - tinit)/h >
if (h.has_value()){
if (*h <= 0.){
std::ostringstream sout;
sout << "BasicFactor::IntegrateOrbits: unreasonal input";
throw std::runtime_error(sout.str());
}
}
if (nout.has_value()){
if (*nout < 2){
std::ostringstream sout;
sout << "BasicFactor::IntegrateOrbits: unreasonal input";
throw std::runtime_error(sout.str());
}
}
if ( (tfinal - tinit)/ *h >
static_cast<double>(std::numeric_limits<int>::max()) )
{
std::cout << "BasicFactor::IntegrateOrbits: step size is too small or "
std::ostringstream sout;
sout << "BasicFactor::IntegrateOrbits: step size is too small or "
<< "time interval is too large.\n";
// Return empty data
//
return {Eigen::VectorXd(), Eigen::Tensor<float, 3>()};
throw std::runtime_error(sout.str());
}
if (tinit < 0 || tfinal < tinit){
std::ostringstream sout;
sout << "BasicFactor::IntegrateOrbits: unreasonal input";
throw std::runtime_error(sout.str());
}

// Number of steps
//
int numT = floor( (tfinal - tinit)/h );

// Compute output step
//
nout = std::min<int>(numT, nout);
double H = (tfinal - tinit)/nout;
int numT = 0;
double H = 0.0;
if (h.has_value() && nout.has_value()){
numT = floor( (tfinal - tinit)/ *h ) + 1;
if (std::abs(numT - *nout) > 0){
std::ostringstream sout;
sout << "BasicFactor::IntegrateOrbits: inconsistent step number/size input";
throw std::runtime_error(sout.str());
} else {
H = *h;
}
} else if (h.has_value()) {
numT = floor( (tfinal - tinit)/ *h ) + 1;
H = *h;
} else if (nout.has_value()) {
numT = *nout;
H = (tfinal - tinit)/ (*nout - 1);
} else {
std::ostringstream sout;
sout << "BasicFactor::IntegrateOrbits: no step number/size input";
throw std::runtime_error(sout.str());
}

// Use numT and H for calculation
// Return data
//
Eigen::Tensor<float, 3> ret;

try {
ret.resize(rows, 6, nout);
ret.resize(rows, 6, numT);
}
catch (const std::bad_alloc& e) {
std::cout << "BasicFactor::IntegrateOrbits: memory allocation failed: "
<< e.what() << std::endl
<< "Your requested number of orbits and time steps requires "
<< floor(8.0*rows*6*nout/1e9)+1 << " GB free memory"
<< floor(8.0*rows*6*numT/1e9)+1 << " GB free memory"
<< std::endl;

// Return empty data
Expand All @@ -3209,7 +3242,7 @@ namespace BasisClasses

// Time array
//
Eigen::VectorXd times(nout);
Eigen::VectorXd times(numT);

// Do the work
//
Expand All @@ -3218,19 +3251,14 @@ namespace BasisClasses
for (int k=0; k<6; k++) ret(n, k, 0) = ps(n, k);

double tnow = tinit;
for (int s=1, cnt=1; s<numT; s++) {
std::tie(tnow, ps) = OneStep(tnow, h, ps, accel, bfe, F);
if (tnow >= H*cnt-h*1.0e-8) {
times(cnt) = tnow;
for (int n=0; n<rows; n++)
for (int k=0; k<6; k++) ret(n, k, cnt) = ps(n, k);
cnt += 1;
for (int cnt=1; cnt<numT; cnt++) {
std::tie(tnow, ps) = OneStep(tnow, H, ps, accel, bfe, F);
if (tnow >= H*cnt-H*1.0e-8) {
times(cnt) = tnow;
for (int n=0; n<rows; n++)
for (int k=0; k<6; k++) ret(n, k, cnt) = ps(n, k);
}
}

times(nout-1) = tnow;
for (int n=0; n<rows; n++)
for (int k=0; k<6; k++) ret(n, k, nout-1) = ps(n, k);

return {times, ret};
}
Expand Down
12 changes: 6 additions & 6 deletions pyEXP/BasisWrappers.cc
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Original file line number Diff line number Diff line change
Expand Up @@ -2002,19 +2002,19 @@ void BasisFactoryClasses(py::module &m)
)", py::arg("time"), py::arg("mod"));

m.def("IntegrateOrbits",
[](double tinit, double tfinal, double h, Eigen::MatrixXd ps,
[](double tinit, double tfinal, Eigen::MatrixXd ps,
std::vector<BasisClasses::BasisCoef> bfe,
BasisClasses::AccelFunc& func, int stride)
BasisClasses::AccelFunc& func, std::optional<double> h, std::optional<int> nout)
{
Eigen::VectorXd T;
Eigen::Tensor<float, 3> O;

AccelFunctor F = [&func](double t, Eigen::MatrixXd& ps, Eigen::MatrixXd& accel, BasisCoef mod)->Eigen::MatrixXd& { return func.F(t, ps, accel, mod);};

std::tie(T, O) =
BasisClasses::IntegrateOrbits(tinit, tfinal, h, ps, bfe, F, stride);
BasisClasses::IntegrateOrbits(tinit, tfinal, ps, bfe, F, h, nout);

py::array_t<float> ret = make_ndarray3<float>(O);
py::array_t<float> ret = make_ndarray<float>(O);
return std::tuple<Eigen::VectorXd, py::array_t<float>>(T, ret);
},
R"(
Expand Down Expand Up @@ -2049,7 +2049,7 @@ void BasisFactoryClasses(py::module &m)
tuple(numpy.array, numpy.ndarray)
time and phase-space arrays
)",
py::arg("tinit"), py::arg("tfinal"), py::arg("h"),
py::arg("tinit"), py::arg("tfinal"), py::arg("h")=std::nullopt,
py::arg("ps"), py::arg("basiscoef"), py::arg("func"),
py::arg("nout")=std::numeric_limits<int>::max());
py::arg("nout")=std::nullopt);
}
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