From 72245590f24473c70f72aa6a1492fc597f6410cc Mon Sep 17 00:00:00 2001
From: Arne Morten Kvarving <arne.morten.kvarving@sintef.no>
Date: Fri, 7 Feb 2025 14:19:00 +0100
Subject: [PATCH] move assignment of mass fractions into ExtboContainer

---
 opm/simulators/flow/ExtboContainer.cpp       | 12 ++++++++++++
 opm/simulators/flow/ExtboContainer.hpp       |  5 +++++
 opm/simulators/flow/OutputBlackoilModule.hpp |  9 ++++-----
 3 files changed, 21 insertions(+), 5 deletions(-)

diff --git a/opm/simulators/flow/ExtboContainer.cpp b/opm/simulators/flow/ExtboContainer.cpp
index 894596322..dbff11bda 100644
--- a/opm/simulators/flow/ExtboContainer.cpp
+++ b/opm/simulators/flow/ExtboContainer.cpp
@@ -48,6 +48,18 @@ allocate(const unsigned bufferSize)
     allocated_ = true;
 }
 
+template<class Scalar>
+void ExtboContainer<Scalar>::
+assignMassFractions(const unsigned globalDofIdx,
+                    const Scalar gas,
+                    const Scalar oil,
+                    const Scalar co2)
+{
+    this->mFracGas_[globalDofIdx] = gas;
+    this->mFracOil_[globalDofIdx] = oil;
+    this->mFracCo2_[globalDofIdx] = co2;
+}
+
 template<class Scalar>
 void ExtboContainer<Scalar>::
 assignVolumes(const unsigned globalDofIdx,
diff --git a/opm/simulators/flow/ExtboContainer.hpp b/opm/simulators/flow/ExtboContainer.hpp
index 73044b74c..19ce826de 100644
--- a/opm/simulators/flow/ExtboContainer.hpp
+++ b/opm/simulators/flow/ExtboContainer.hpp
@@ -40,6 +40,11 @@ class ExtboContainer
 public:
     void allocate(const unsigned bufferSize);
 
+    void assignMassFractions(const unsigned globalDofIdx,
+                             const Scalar gas,
+                             const Scalar oil,
+                             const Scalar co2);
+
     void assignVolumes(const unsigned globalDofIdx,
                        const Scalar xVolume,
                        const Scalar yVolume);
diff --git a/opm/simulators/flow/OutputBlackoilModule.hpp b/opm/simulators/flow/OutputBlackoilModule.hpp
index 39f72aeb2..650cb8f3e 100644
--- a/opm/simulators/flow/OutputBlackoilModule.hpp
+++ b/opm/simulators/flow/OutputBlackoilModule.hpp
@@ -449,9 +449,7 @@ public:
                                             intQuants.yVolume().value());
                 this->extboC_.assignZFraction(globalDofIdx,
                                               intQuants.zFraction().value());
-            }
 
-            if (!this->extboC_.mFracCo2_.empty()) {
                 const Scalar stdVolOil = getValue(fs.saturation(oilPhaseIdx)) * getValue(fs.invB(oilPhaseIdx))
                     + getValue(fs.saturation(gasPhaseIdx)) * getValue(fs.invB(gasPhaseIdx)) * getValue(fs.Rv());
                 const Scalar stdVolGas = getValue(fs.saturation(gasPhaseIdx)) * getValue(fs.invB(gasPhaseIdx))
@@ -466,9 +464,10 @@ public:
                 const Scalar rhoG = FluidSystem::referenceDensity(gasPhaseIdx, pvtRegionIdx);
                 const Scalar rhoCO2 = intQuants.zRefDensity();
                 const Scalar stdMassTotal = 1.0e-10 + stdVolOil * rhoO + stdVolGas * rhoG + stdVolCo2 * rhoCO2;
-                this->extboC_.mFracOil_[globalDofIdx] = stdVolOil * rhoO / stdMassTotal;
-                this->extboC_.mFracGas_[globalDofIdx] = stdVolGas * rhoG / stdMassTotal;
-                this->extboC_.mFracCo2_[globalDofIdx] = stdVolCo2 * rhoCO2 / stdMassTotal;
+                this->extboC_.assignMassFractions(globalDofIdx,
+                                                  stdVolGas * rhoG / stdMassTotal,
+                                                  stdVolOil * rhoO / stdMassTotal,
+                                                  stdVolCo2 * rhoCO2 / stdMassTotal);
             }
 
             if (this->micpC_.allocated()) {