restructure. separate geo and battery chemistry

rrsettgast · rrsettgast · commit 1037d19bbbb9 · 2025-01-13T10:52:13.000-08:00
diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt
@@ -2,11 +2,12 @@
 set( hpcReact_headers
      common/macros.hpp
      common/CArrayWrapper.hpp
+     reactions/base/ReactionsParametersBase.hpp
      reactions/geochemistry/EquilibriumReactions.hpp
      reactions/geochemistry/KineticReactions.hpp
      reactions/geochemistry/ReactionsBase.hpp
-     reactions/ReactionsParameterData.hpp
-     reactions/ReactionsParameterDataPredefined.hpp
+     reactions/geochemistry/GeochemicalReactionsParameters.hpp
+     reactions/geochemistry/GeochemicalReactionsParametersPredefined.hpp
      )
 
 set( hpcReact_sources
diff --git a/src/reactions/ReactionsParameterData.hpp b/src/reactions/ReactionsParameterData.hpp
diff --git a/src/reactions/ReactionsParameterDataPredefined.hpp b/src/reactions/ReactionsParameterDataPredefined.hpp
diff --git a/src/reactions/base/ReactionsParametersBase.hpp b/src/reactions/base/ReactionsParametersBase.hpp
@@ -0,0 +1,26 @@
+#pragma once
+
+
+namespace hpcReact
+{
+
+template< typename REAL_TYPE,
+          typename INT_TYPE,
+          int NUM_PRIMARY_SPECIES,
+          int NUM_SECONDARY_SPECIES >
+struct ParameterBase
+{
+  using RealType = REAL_TYPE;
+  using IntType = INT_TYPE;
+
+  static constexpr IntType numPrimarySpecies = NUM_PRIMARY_SPECIES;
+  static constexpr IntType numSecondarySpecies = NUM_SECONDARY_SPECIES;
+
+  RealType m_ionSizePrimary[numPrimarySpecies];
+  RealType m_ionSizeSec[numSecondarySpecies];
+
+  IntType m_chargePrimary[numPrimarySpecies];
+  IntType m_chargeSec[numSecondarySpecies];
+};
+
+}
diff --git a/src/reactions/base/unitTests/CMakeLists.txt b/src/reactions/base/unitTests/CMakeLists.txt
@@ -1,6 +1,6 @@
 # Specify list of tests
 set( testSourceFiles
-     testReactionsParameterData.cpp )
+     testGeochemicalReactionsParameters.cpp )
 
 set( dependencyList hpcReact gtest )
 
diff --git a/src/reactions/base/unitTests/testReactionsParameterData.cpp b/src/reactions/base/unitTests/testReactionsParameterData.cpp
@@ -2,7 +2,7 @@
 #include "../ReactionsBase_impl.hpp"
 #include "MultiVector.hpp"
 #include "common/CArrayWrapper.hpp"
-#include "../ReactionsParameterDataPredefined.hpp"
+#include "../GeochemicalReactionsParametersPredefined.hpp"
 
 #include <gtest/gtest.h>
 
diff --git a/src/reactions/geochemistry/unitTests/testReactionsBase.cpp b/src/reactions/geochemistry/unitTests/testReactionsBase.cpp
@@ -2,7 +2,7 @@
 #include "../ReactionsBase_impl.hpp"
 #include "MultiVector.hpp"
 #include "common/CArrayWrapper.hpp"
-#include "../ReactionsParameterDataPredefined.hpp"
+#include "../GeochemicalReactionsParametersPredefined.hpp"
 
 #include <gtest/gtest.h>
 
