From 95e37356780e888e6ea347204b7b4aaaa9ea2bfe Mon Sep 17 00:00:00 2001
From: Arne Morten Kvarving <arne.morten.kvarving@sintef.no>
Date: Wed, 12 Feb 2025 07:51:22 +0100
Subject: [PATCH] move assignment of gas fractions into CompositionalContainer

---
 opm/simulators/flow/CompositionalContainer.cpp   | 16 ++++++++++++++++
 opm/simulators/flow/CompositionalContainer.hpp   |  3 +++
 .../flow/OutputCompositionalModule.hpp           | 16 +++++++---------
 3 files changed, 26 insertions(+), 9 deletions(-)

diff --git a/opm/simulators/flow/CompositionalContainer.cpp b/opm/simulators/flow/CompositionalContainer.cpp
index f9bd6fc40..8f5034b0c 100644
--- a/opm/simulators/flow/CompositionalContainer.cpp
+++ b/opm/simulators/flow/CompositionalContainer.cpp
@@ -66,6 +66,21 @@ allocate(const unsigned bufferSize,
     }
 }
 
+template<class FluidSystem>
+void CompositionalContainer<FluidSystem>::
+assignGasFractions(const unsigned globalDofIdx,
+                   const AssignFunction& fractions)
+{
+    if (phaseMoleFractions_[gasPhaseIdx][0].empty()) {
+        return;
+    }
+
+    std::for_each(phaseMoleFractions_[gasPhaseIdx].begin(),
+                  phaseMoleFractions_[gasPhaseIdx].end(),
+                  [globalDofIdx, &fractions, c = 0](auto& comp) mutable
+                  { comp[globalDofIdx] = fractions(c++); });
+}
+
 template<class FluidSystem>
 void CompositionalContainer<FluidSystem>::
 assignMoleFractions(const unsigned globalDofIdx,
@@ -88,6 +103,7 @@ assignOilFractions(const unsigned globalDofIdx,
     if (phaseMoleFractions_[oilPhaseIdx][0].empty()) {
         return;
     }
+
     std::for_each(phaseMoleFractions_[oilPhaseIdx].begin(),
                   phaseMoleFractions_[oilPhaseIdx].end(),
                   [globalDofIdx, &fractions, c = 0](auto& comp) mutable
diff --git a/opm/simulators/flow/CompositionalContainer.hpp b/opm/simulators/flow/CompositionalContainer.hpp
index f7e4aca84..9afb7eee8 100644
--- a/opm/simulators/flow/CompositionalContainer.hpp
+++ b/opm/simulators/flow/CompositionalContainer.hpp
@@ -55,6 +55,9 @@ public:
 
     using AssignFunction = std::function<Scalar(const unsigned)>;
 
+    void assignGasFractions(const unsigned globalDofIdx,
+                            const AssignFunction& fractions);
+
     void assignMoleFractions(const unsigned globalDofIdx,
                              const AssignFunction& fractions);
 
diff --git a/opm/simulators/flow/OutputCompositionalModule.hpp b/opm/simulators/flow/OutputCompositionalModule.hpp
index db8dcec9b..a4fdd6ccb 100644
--- a/opm/simulators/flow/OutputCompositionalModule.hpp
+++ b/opm/simulators/flow/OutputCompositionalModule.hpp
@@ -57,8 +57,7 @@
 #include <vector>
 
 
-namespace Opm
-{
+namespace Opm {
 
 // forward declaration
 template <class TypeTag>
@@ -196,19 +195,18 @@ public:
                                                  [&fs](const unsigned compIdx)
                                                  { return getValue(fs.moleFraction(compIdx)); });
 
+                if (FluidSystem::phaseIsActive(gasPhaseIdx)) {
+                    this->compC_.assignGasFractions(globalDofIdx,
+                                                    [&fs](const unsigned compIdx)
+                                                    { return getValue(fs.moleFraction(gasPhaseIdx, compIdx)); });
+                }
+
                 if (FluidSystem::phaseIsActive(oilPhaseIdx)) {
                     this->compC_.assignOilFractions(globalDofIdx,
                                                     [&fs](const unsigned compIdx)
                                                     { return getValue(fs.moleFraction(oilPhaseIdx, compIdx)); });
                 }
             }
-            // XMF and YMF
-            for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
-                if (FluidSystem::phaseIsActive(gasPhaseIdx)) {
-                    if (this->compC_.phaseMoleFractions_[gasPhaseIdx][compIdx].empty()) continue;
-                    this->compC_.phaseMoleFractions_[gasPhaseIdx][compIdx][globalDofIdx] = getValue(fs.moleFraction(gasPhaseIdx, compIdx));
-                }
-            }
 
             if (!this->fluidPressure_.empty()) {
                 if (FluidSystem::phaseIsActive(oilPhaseIdx)) {