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Add mass fraction multi-phase table to sesame2spiner #600

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6829cde
Add mass fraction table to sesame2spiner
adamdempsey90 Jan 12, 2026
909776e
Add table existence check to eospac_wrapper. Return a bool from eosMa…
adamdempsey90 Jan 15, 2026
a8a9804
Move getting of phase names and number of phases to eospac_wrapper an…
adamdempsey90 Jan 15, 2026
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33 changes: 33 additions & 0 deletions eospac-wrapper/eospac_wrapper.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -335,6 +335,14 @@ void eosSafeTableCmnts(EOS_INTEGER *table, EOS_CHAR *comments, Verbosity eospacW
eosCheckError(errorCode, "eos_GetTableCmnts", eospacWarn);
}

void eosSafeTableMetaData(EOS_INTEGER *table, EOS_INTEGER infoItem, EOS_CHAR *infoString,
Verbosity eospacWarn) {
EOS_INTEGER errorCode = EOS_OK;
EOS_INTEGER infoTypes[1] = {infoItem};
eos_GetTableMetaData(table, infoTypes, infoString, &errorCode);
eosCheckError(errorCode, "eos_GetTableMetaData", eospacWarn);
}

void eosCheckError(EOS_INTEGER errorCode, const std::string &name, Verbosity eospacWarn) {
EOS_CHAR errorMessage[EOS_MaxErrMsgLen];
if (errorCode != EOS_OK && eospacWarn != Verbosity::Quiet) {
Expand All @@ -343,6 +351,31 @@ void eosCheckError(EOS_INTEGER errorCode, const std::string &name, Verbosity eos
}
}

int eosCheckTableExistence(EOS_INTEGER tableType_, int matid_, Verbosity eospacWarn) {
// Note this opens and closes the table
int exists = 1;
int NT = 1;
EOS_INTEGER matid[1] = {matid_};
EOS_INTEGER tableType[1] = {tableType_};
EOS_INTEGER tableHandle[1];
EOS_INTEGER errorCode = EOS_OK;

eos_CreateTables(&NT, tableType, matid, tableHandle, &errorCode);
eosCheckError(errorCode, "eos_CreateTables", eospacWarn);
eos_LoadTables(&NT, &tableHandle[0], &errorCode);
if (errorCode != EOS_OK) {
if (eosErrorCodesEqual(EOS_NO_DATA_TABLE, errorCode)) {
exists = 0;
} else {
// something else happended
eosCheckError(errorCode, "eos_LoadTables", eospacWarn);
exists = -1;
}
}
eosSafeDestroy(NT, tableHandle, eospacWarn);
return exists;
}

std::string eosErrorString(EOS_INTEGER errorCode) {
// Algorithmicallly generated by parsing the EOSPAC docs
// I'm sorry. It's gross. ~JMM
Expand Down
5 changes: 3 additions & 2 deletions eospac-wrapper/eospac_wrapper.hpp
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Expand Up @@ -122,13 +122,14 @@ void eosSafeTableInfo(EOS_INTEGER *table, EOS_INTEGER numInfoItems,
EOS_INTEGER infoItems[], EOS_REAL infoVals[], Verbosity eospacWarn);

void eosSafeTableCmnts(EOS_INTEGER *table, EOS_CHAR *comments, Verbosity eospacWarn);

void eosSafeTableMetaData(EOS_INTEGER *table, EOS_INTEGER infoItem, EOS_CHAR *infoString,
Verbosity eospacWarn);
void eosCheckError(EOS_INTEGER errorCode, const std::string &name, Verbosity eospacWarn);
std::string eosErrorString(EOS_INTEGER errorCode);
void eosSafeDestroy(int ntables, EOS_INTEGER tableHandles[], Verbosity eospacWarn);
std::string getName(std::string comment);
bool eosErrorCodesEqual(EOS_INTEGER lhs, EOS_INTEGER rhs);

int eosCheckTableExistence(EOS_INTEGER tableType_, int matid_, Verbosity eospacWarn);
} // namespace EospacWrapper

#endif // _EOSPAC_WRAPPER_EOSPAC_WRAPPER_HPP_
21 changes: 20 additions & 1 deletion sesame2spiner/generate_files.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -53,7 +53,7 @@ herr_t saveMaterial(hid_t loc, const SesameMetadata &metadata, const Bounds &lRh
std::string sMatid = std::to_string(matid);

herr_t status = 0;
hid_t matGroup, lTGroup, leGroup, coldGroup;
hid_t matGroup, lTGroup, leGroup, coldGroup, mfGroup;

matGroup = H5Gcreate(loc, sMatid.c_str(), H5P_DEFAULT, H5P_DEFAULT, H5P_DEFAULT);
status += H5Lcreate_soft(sMatid.c_str(), loc, name.c_str(), H5P_DEFAULT, H5P_DEFAULT);
Expand Down Expand Up @@ -116,6 +116,25 @@ herr_t saveMaterial(hid_t loc, const SesameMetadata &metadata, const Bounds &lRh
// status += transitionMask.saveHDF(coldGroup, SP5::Fields::transitionMask);
}

{
DataBox mf, mask;
Bounds nphBounds;
std::string phase_names;

if (eosMassFraction(matid, lRhoBounds, lTBounds, nphBounds, mf, mask, phase_names,
eospacWarn)) {
mfGroup = H5Gcreate(matGroup, SP5::Depends::massFrac, H5P_DEFAULT, H5P_DEFAULT,
H5P_DEFAULT);

status += mf.saveHDF(mfGroup, SP5::Fields::massFrac);
const int numphases = mf.dim(1);
status += H5LTset_attribute_int(mfGroup, ".", "numphases", &numphases, 1);
status +=
H5LTset_attribute_string(mfGroup, ".", "phase names", phase_names.c_str());
status += H5Gclose(mfGroup);
}
}

if (addSubtables) {
int i = 0;
std::vector<TableSplit> splits = {TableSplit::ElectronOnly, TableSplit::IonCold};
Expand Down
74 changes: 74 additions & 0 deletions sesame2spiner/io_eospac.cpp
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Expand Up @@ -328,6 +328,80 @@ void eosColdCurveMask(int matid, const Bounds &lRhoBounds, const int numSie,
eosSafeDestroy(NT, tableHandle, eospacWarn);
}

bool eosMassFraction(int matid, const Bounds &lRhoBounds, const Bounds &lTBounds,
Bounds &nphBounds, DataBox &Ms, DataBox &mask,
std::string &phase_names, Verbosity eospacWarn) {
using namespace EospacWrapper;

EOS_INTEGER errorCode = EOS_OK;
constexpr int NT = 2;
int ntables = NT;
EOS_INTEGER tableHandle[NT];
EOS_INTEGER tableType[NT] = {EOS_M_DT, EOS_Comment};
std::vector<EOS_INTEGER> matid_v(NT, matid);
std::vector<std::string> table_names = {"EOS_M_DT", "Eos_Material_Phases"};

const int exists = eosCheckTableExistence(EOS_M_DT, matid, eospacWarn);
if (exists > 0) {
eosSafeLoad(NT, matid, tableType, tableHandle, {"EOS_M_DT", "Eos_Material_Phases"},
eospacWarn);
} else {
phase_names = std::string("");
return false;
}
// indep vars
// Reuses the EOS log temp and log rho bounds
std::vector<EOS_REAL> rhos, Ts, phs;
makeInterpPoints(rhos, lRhoBounds);
makeInterpPoints(Ts, lTBounds);
Comment on lines +354 to +356
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@adamdempsey90 adamdempsey90 Jan 15, 2026

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I am re-using the EOS rho-T grid for this but in testing we are seeing that maybe that isn't great, e.g., instead of clustering around STP, we probably want to cluster the points around phase transitions. I could add another set of parameters to the inputs that describe the grid decomp for just mass fractions?

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@Yurlungur Yurlungur Jan 15, 2026

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I think that makes a lot of sense. Yeah there's no reason the two grids have to be the same.

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@buechlerm buechlerm Jan 15, 2026

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If you're going to use different grids, I would just use the sesame grid. (piecewise linear). eospac just does bilinear interpolation for mass fractions so we should not need higher density than sesame.


EOS_REAL infoVals[1];
EOS_INTEGER infoItems[1] = {EOS_NUM_PHASES};
eosSafeTableInfo(&tableHandle[0], 1, infoItems, infoVals, eospacWarn);
const int nph = static_cast<int>(infoVals[0]);

EOS_CHAR infoString[EOS_META_DATA_STRLEN];
infoString[0] = '\0';
eosSafeTableMetaData(&tableHandle[1], EOS_Material_Phases, infoString, eospacWarn);
phase_names = std::string(infoString);

DataBox dMdt, dMdr;
Ms.resize(rhos.size(), Ts.size(), nph);
Ms.setRange(1, lTBounds.grid);
Ms.setRange(2, lRhoBounds.grid);

dMdr.copyMetadata(Ms);
dMdt.copyMetadata(Ms);
mask.copyMetadata(Ms);

// Interpolatable vars
EOS_INTEGER nXYPairs = rhos.size() * Ts.size();
std::vector<EOS_REAL> M_pack(nXYPairs * nph), DMDR_T(nXYPairs), DMDT_R(nXYPairs),
rho_flat(nXYPairs), T_flat(nXYPairs);

// prepare flat data structures
for (std::size_t j = 0, iflat = 0; j < rhos.size(); ++j) {
for (std::size_t i = 0; i < Ts.size(); ++i, iflat++) {
rho_flat[iflat] = densityToSesame(rhos[j]);
T_flat[iflat] = temperatureToSesame(Ts[i]);
}
}

const bool no_errors = eosSafeInterpolate(&tableHandle[0], nXYPairs, rho_flat.data(),
T_flat.data(), M_pack.data(), DMDR_T.data(),
DMDT_R.data(), "EOS_M_DT", eospacWarn);

for (size_t j = 0, iflat = 0; j < rhos.size(); j++) {
for (size_t i = 0; i < Ts.size(); i++, iflat++) {
for (size_t k = 0; k < nph; k++) {
Ms(j, i, k) = M_pack[k * nXYPairs + iflat];
}
}
}
eosSafeDestroy(NT, tableHandle, eospacWarn);
return true;
}

void makeInterpPoints(std::vector<EOS_REAL> &v, const Bounds &b) {
v.resize(b.grid.nPoints());
for (size_t i = 0; i < v.size(); i++) {
Expand Down
3 changes: 3 additions & 0 deletions sesame2spiner/io_eospac.hpp
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Expand Up @@ -76,6 +76,9 @@ void eosColdCurves(int matid, const Bounds &lRhoBounds, DataBox &Ps, DataBox &si
void eosColdCurveMask(int matid, const Bounds &lRhoBounds, const int numSie,
const DataBox &sieColdCurve, DataBox &mask,
Verbosity eospacWarn = Verbosity::Quiet);
bool eosMassFraction(int matid, const Bounds &lRhoBounds, const Bounds &lTBounds,
Bounds &nphBounds, DataBox &mf, DataBox &mask,
std::string &phase_names, Verbosity eospacWarn = Verbosity::Quiet);

void makeInterpPoints(std::vector<EOS_REAL> &v, const Bounds &b);

Expand Down
2 changes: 2 additions & 0 deletions singularity-eos/base/sp5/singularity_eos_sp5.hpp
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Expand Up @@ -26,6 +26,7 @@ namespace Depends {
constexpr char logRhoLogSie[] = "dependsLogRhoLogSie";
constexpr char logRhoLogT[] = "dependsLogRhoLogT";
constexpr char coldCurve[] = "coldCurve";
constexpr char massFrac[] = "massFrac";
} // namespace Depends

namespace SubTable {
Expand Down Expand Up @@ -68,6 +69,7 @@ constexpr char dEdRho[] = "dEdRho";
constexpr char dEdT[] = "dEdT";
constexpr char mask[] = "mask";
constexpr char transitionMask[] = "transition mask";
constexpr char massFrac[] = "mass fractions";
} // namespace Fields

} // namespace SP5
Expand Down
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