Print temporals in CSV format (#410)

* util for getting varname from state index * print temporals in CSV format with headers * remove redundant string initialization * fix typo
AMReX-Combustion · Sep 10, 2024 · a802fd9 · a802fd9
1 parent 1371b7c
commit a802fd9
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Showing 4 changed files with 73 additions and 31 deletions.
diff --git a/Source/Efield/PeleLMeX_EFUtils.cpp b/Source/Efield/PeleLMeX_EFUtils.cpp
@@ -362,9 +362,9 @@ PeleLM::ionsBalance()
     }
   }
 
-  tmpIonsFile << m_nstep << " " << m_cur_time; // Time info
+  tmpIonsFile << m_nstep << "," << m_cur_time; // Time info
   for (int i = 0; i < 2 * AMREX_SPACEDIM; i++) {
-    tmpIonsFile << " " << ionsCurrent[i]; // ions current as xlo, xhi, ylo, ...
+    tmpIonsFile << "," << ionsCurrent[i]; // ions current as xlo, xhi, ylo, ...
   }
   tmpIonsFile << "\n";
   tmpIonsFile.flush();

diff --git a/Source/PeleLMeX.H b/Source/PeleLMeX.H
@@ -1310,6 +1310,7 @@ public:
   bool isReactVariable(std::string_view a_name);
   int stateVariableIndex(std::string_view a_name);
   int reactVariableIndex(std::string_view a_name);
+  std::string stateVariableName(int a_index);
 
   // Typical values
   void setTypicalValues(const PeleLM::TimeStamp& a_time, int is_init = 0);

diff --git a/Source/PeleLMeX_Temporals.cpp b/Source/PeleLMeX_Temporals.cpp
@@ -48,22 +48,22 @@ PeleLM::massBalance()
     +m_domainMassFlux[2] + m_domainMassFlux[3],
     +m_domainMassFlux[4] + m_domainMassFlux[5]);
 
-  tmpMassFile << m_nstep << " " << m_cur_time // Time info
-              << " " << m_massNew             // mass
-              << " " << dmdt                  // mass temporal derivative
-              << " " << massFluxBalance       // domain boundaries mass fluxes
-              << " " << std::abs(dmdt - massFluxBalance) << " \n"; // balance
+  tmpMassFile << m_nstep << "," << m_cur_time // Time info
+              << "," << m_massNew             // mass
+              << "," << dmdt                  // mass temporal derivative
+              << "," << massFluxBalance       // domain boundaries mass fluxes
+              << "," << std::abs(dmdt - massFluxBalance) << "\n"; // balance
   tmpMassFile.flush();
 }
 
 void
 PeleLM::speciesBalancePatch()
 {
-  tmppatchmfrFile << m_nstep << " " << m_cur_time; // Time info
+  tmppatchmfrFile << m_nstep << "," << m_cur_time; // Time info
   for (int n = 0; n < m_bPatches.size(); n++) {
     BPatch::BpatchDataContainer* bphost = m_bPatches[n]->getHostDataPtr();
     for (int i = 0; i < bphost->num_species; i++) {
-      tmppatchmfrFile << " " << bphost->speciesFlux[i];
+      tmppatchmfrFile << "," << bphost->speciesFlux[i];
     }
   }
   tmppatchmfrFile << "\n";
@@ -90,13 +90,13 @@ PeleLM::speciesBalance()
         m_domainRhoYFlux[2 * n * AMREX_SPACEDIM + 5]);
   }
 
-  tmpSpecFile << m_nstep << " " << m_cur_time; // Time info
+  tmpSpecFile << m_nstep << "," << m_cur_time; // Time info
   for (int n = 0; n < NUM_SPECIES; n++) {
-    tmpSpecFile << " " << m_RhoYNew[n]        // mass of Y
-                << " " << dmYdt[n]            // mass temporal derivative
-                << " " << massYFluxBalance[n] // domain boundaries mass fluxes
-                << " " << rhoYdots[n]         // integrated consumption rate
-                << " "
+    tmpSpecFile << "," << m_RhoYNew[n]        // mass of Y
+                << "," << dmYdt[n]            // mass temporal derivative
+                << "," << massYFluxBalance[n] // domain boundaries mass fluxes
+                << "," << rhoYdots[n]         // integrated consumption rate
+                << ","
                 << std::abs(
                      dmYdt[n] - massYFluxBalance[n] - rhoYdots[n]); // balance
   }
@@ -310,11 +310,11 @@ PeleLM::rhoHBalance()
     +m_domainRhoHFlux[2] + m_domainRhoHFlux[3],
     +m_domainRhoHFlux[4] + m_domainRhoHFlux[5]);
 
-  tmpMassFile << m_nstep << " " << m_cur_time // Time info
-              << " " << m_RhoHNew             // RhoH
-              << " " << dRhoHdt               // RhoH temporal derivative
-              << " " << rhoHFluxBalance       // domain boundaries RhoH fluxes
-              << " " << std::abs(dRhoHdt - rhoHFluxBalance) << " \n"; // balance
+  tmpMassFile << m_nstep << "," << m_cur_time // Time info
+              << "," << m_RhoHNew             // RhoH
+              << "," << dRhoHdt               // RhoH temporal derivative
+              << "," << rhoHFluxBalance       // domain boundaries RhoH fluxes
+              << "," << std::abs(dRhoHdt - rhoHFluxBalance) << "\n"; // balance
   tmpMassFile.flush();
 }
 
@@ -670,13 +670,13 @@ PeleLM::writeTemporals()
     heatReleaseRateInt = MFSum(GetVecOfConstPtrs(kinEnergy), 0);
   }
 
-  tmpStateFile << m_nstep << " " << m_cur_time << " " << m_dt // Time
-               << " " << kinenergy_int                        // Kinetic energy
-               << " " << enstrophy_int                        // Enstrophy
-               << " " << m_pNew             // Thermo. pressure
-               << " " << fuelConsumptionInt // Integ fuel burning rate
-               << " " << heatReleaseRateInt // Integ heat release rate
-               << " \n";
+  tmpStateFile << m_nstep << "," << m_cur_time << "," << m_dt // Time
+               << "," << kinenergy_int                        // Kinetic energy
+               << "," << enstrophy_int                        // Enstrophy
+               << "," << m_pNew             // Thermo. pressure
+               << "," << fuelConsumptionInt // Integ fuel burning rate
+               << "," << heatReleaseRateInt // Integ heat release rate
+               << "\n";
   tmpStateFile.flush();
 
   // Get min/max for state components
@@ -689,12 +689,12 @@ PeleLM::writeTemporals()
       ? MLmin(GetVecOfConstPtrs(getStateVect(AmrNewTime)), 0, AMREX_SPACEDIM)
       : MLmin(GetVecOfConstPtrs(getStateVect(AmrNewTime)), 0, NVAR);
 
-  tmpExtremasFile << m_nstep << " " << m_cur_time; // Time
+  tmpExtremasFile << m_nstep << "," << m_cur_time; // Time
   for (int n = 0; n < stateMax.size();
        ++n) { // Min & max of each state variable
-    tmpExtremasFile << " " << stateMin[n] << " " << stateMax[n];
+    tmpExtremasFile << "," << stateMin[n] << "," << stateMax[n];
   }
-  tmpExtremasFile << " \n";
+  tmpExtremasFile << "\n";
   tmpExtremasFile.flush();
 
 #ifdef PELE_USE_EFIELD
@@ -720,34 +720,52 @@ PeleLM::openTempFile()
       tempFileName.c_str(),
       std::ios::out | std::ios::app | std::ios_base::binary);
     tmpStateFile.precision(12);
+    tmpStateFile << "iter,time,dt,kinEnergy,enstrophy,pressure,fuelConsumption,"
+                    "heatRelease\n";
     if (m_do_massBalance != 0) {
       tempFileName = "temporals/tempMass";
       tmpMassFile.open(
         tempFileName.c_str(),
         std::ios::out | std::ios::app | std::ios_base::binary);
       tmpMassFile.precision(12);
+      tmpMassFile << "iter,time,massNew,dmdt,netMassFlux,balance\n";
     }
     if (m_do_speciesBalance != 0) {
       tempFileName = "temporals/tempSpecies";
       tmpSpecFile.open(
         tempFileName.c_str(),
         std::ios::out | std::ios::app | std::ios_base::binary);
       tmpSpecFile.precision(12);
+      tmpSpecFile << "iter,time";
+      for (int n = 0; n < NUM_SPECIES; n++) {
+        tmpSpecFile << ",rhoYnew_" << PeleLM::stateVariableName(FIRSTSPEC + n);
+        tmpSpecFile << ",drhoYdt_" << PeleLM::stateVariableName(FIRSTSPEC + n);
+        tmpSpecFile << ",netFlux_" << PeleLM::stateVariableName(FIRSTSPEC + n);
+        tmpSpecFile << ",rxnCons_" << PeleLM::stateVariableName(FIRSTSPEC + n);
+        tmpSpecFile << ",balance_" << PeleLM::stateVariableName(FIRSTSPEC + n);
+      }
+      tmpSpecFile << "\n";
     }
     if (m_do_extremas != 0) {
       tempFileName = "temporals/tempExtremas";
       tmpExtremasFile.open(
         tempFileName.c_str(),
         std::ios::out | std::ios::app | std::ios_base::binary);
       tmpExtremasFile.precision(12);
+      tmpExtremasFile << "iter,time";
+      for (int n = 0; n < NVAR; ++n) {
+        tmpExtremasFile << ",min_" << PeleLM::stateVariableName(n) << ",max_"
+                        << PeleLM::stateVariableName(n);
+      }
+      tmpExtremasFile << "\n";
     }
     if (m_do_patch_mfr != 0) {
       tempFileName = "temporals/temppatchmfr";
       tmppatchmfrFile.open(
         tempFileName.c_str(),
         std::ios::out | std::ios::app | std::ios_base::binary);
       tmppatchmfrFile.precision(12);
-      tmppatchmfrFile << "#Variables=iter,time";
+      tmppatchmfrFile << "iter,time";
       for (int n = 0; n < m_bPatches.size(); n++) {
         BPatch* patch = m_bPatches[n].get();
         BPatch::BpatchDataContainer bphost = patch->getHostData();
@@ -765,6 +783,11 @@ PeleLM::openTempFile()
         tempFileName.c_str(),
         std::ios::out | std::ios::app | std::ios_base::binary);
       tmpIonsFile.precision(12);
+      tmpIonsFile << "iter,time";
+      for (int i = 0; i < AMREX_SPACEDIM; i++) {
+        tmpIonsFile << ",curr_" << i << "_low,curr_" << i << "_hi";
+      }
+      tmpIonsFile << "\n";
     }
 #endif
   }

diff --git a/Source/PeleLMeX_Utils.cpp b/Source/PeleLMeX_Utils.cpp
@@ -1205,6 +1205,24 @@ PeleLM::stateVariableIndex(std::string_view a_name)
   return idx;
 }
 
+std::string
+PeleLM::stateVariableName(int a_index)
+{
+  if (a_index < 0 || a_index >= NVAR) {
+    amrex::Error(
+      "PeleLM::stateVariableName(): invalid state index: " +
+      std::to_string(a_index));
+  }
+
+  std::string var_name;
+  for (const auto& stateComponent : stateComponents) {
+    if (std::get<0>(stateComponent) == a_index) {
+      var_name = std::get<1>(stateComponent);
+    }
+  }
+  return var_name;
+}
+
 int
 PeleLM::reactVariableIndex(std::string_view a_name)
 {