Move typename for mixing to MixingRuleBase and use where possible

ls1mardyn · Jul 30, 2024 · 45fc874 · 45fc874
1 parent 050d235
commit 45fc874
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Showing 4 changed files with 9 additions and 8 deletions.
diff --git a/src/ensemble/EnsembleBase.h b/src/ensemble/EnsembleBase.h
@@ -133,7 +133,7 @@ class Ensemble {
 	std::map<std::string, int> _componentnamesToIds;
 	// The mixing rules (xi,eta) can be accessed by _mixingrules[cid1][cid2]
 	// Note that cid1 < cid2 and that cid is in internal format, i.e. starts with 0
-	std::map<int, std::map<int, std::shared_ptr<MixingRuleBase>>> _mixingrules;
+	MixingRuleBase::MixRulesType _mixingrules;
 	DomainBase* _domain;
 	Type _type = undefined;
 

diff --git a/src/molecules/Comp2Param.cpp b/src/molecules/Comp2Param.cpp
@@ -5,10 +5,11 @@
 
 #include "utils/Logger.h"
 #include "Simulation.h"
+#include "molecules/mixingrules/MixingRuleBase.h"
 
 
 void Comp2Param::initialize(
-		const std::vector<Component>& components, const MixRulesType & mixcoeff,
+		const std::vector<Component>& components, const MixingRuleBase::MixRulesType & mixcoeff,
 		double epsRF, double rc, double rcLJ)
 {
 	m_numcomp = components.size();

diff --git a/src/molecules/Comp2Param.h b/src/molecules/Comp2Param.h
@@ -2,7 +2,6 @@
 #define COMP2PARAM_H_
 
 #include <vector>
-#include <memory>
 
 #include "molecules/Component.h"
 #include "molecules/Array2D.h"
@@ -15,9 +14,6 @@
  * @author Martin Bernreuther <[email protected]> et al. (2010)
  */
 class Comp2Param {
-
-    using MixRulesType = std::map<int,std::map<int,std::shared_ptr<MixingRuleBase>>>;
-
     public:
         /** Create a new empty parameter stream. */
         Comp2Param() : m_numcomp(0), m_ssparatbl(0,0) {}
@@ -26,7 +22,7 @@ class Comp2Param {
          * the given components and parameters.
          */
         Comp2Param(const std::vector<Component>& components,
-				   const MixRulesType & mixcoeff,
+				   const MixingRuleBase::MixRulesType & mixcoeff,
 				   double epsRF, double rc, double rcLJ) :
 			m_numcomp(components.size()), m_ssparatbl(m_numcomp,m_numcomp)
 		{
@@ -43,7 +39,7 @@ class Comp2Param {
          *   The order of the entries must correspond to the
          *   PotForce() function found in potforce.h reading the stream
          */
-        void initialize(const std::vector<Component>& components, const MixRulesType & mixcoeff, double epsRF, double rc, double rcLJ);
+        void initialize(const std::vector<Component>& components, const MixingRuleBase::MixRulesType & mixcoeff, double epsRF, double rc, double rcLJ);
 
     private:
         unsigned int m_numcomp;  /**< number of components */

diff --git a/src/molecules/mixingrules/MixingRuleBase.h b/src/molecules/mixingrules/MixingRuleBase.h
@@ -1,13 +1,17 @@
 #ifndef MIXINGRULE_BASE_H_
 #define MIXINGRULE_BASE_H_
 
+#include <map>
 #include <string>
 #include <vector>
+#include <memory>
 
 class XMLfileUnits;
 
 class MixingRuleBase {
  public:
+	using MixRulesType = typename std::map<int,std::map<int,std::shared_ptr<MixingRuleBase>>>;
+
 	virtual ~MixingRuleBase() = default;
 
 	virtual void readXML(const XMLfileUnits& xmlconfig);