Creation of integrator deferred to creation of Green's function

Author: Roberto Di Remigio

src/green/IonicLiquid.hpp

@@ -36,6 +36,7 @@
 class DiagonalIntegrator;
 
 #include "DerivativeTypes.hpp"
+#include "DiagonalIntegratorFactory.hpp"
 #include "ForIdGreen.hpp"
 #include "GreenData.hpp"
 #include "GreensFunction.hpp"
@@ -107,7 +108,9 @@ namespace
     struct buildIonicLiquid {
         template <typename DerivativeType>
         IGreensFunction * operator()(const greenData & _data) {
-            return new IonicLiquid<DerivativeType>(_data.epsilon, _data.kappa, _data.integrator);
+            DiagonalIntegrator * integrator = 
+		    DiagonalIntegratorFactory::TheDiagonalIntegratorFactory().createDiagonalIntegrator(_data.integratorType);
+            return new IonicLiquid<DerivativeType>(_data.epsilon, _data.kappa, integrator);
         }
     };
 

src/green/UniformDielectric.hpp

@@ -36,6 +36,7 @@
 class DiagonalIntegrator;
 
 #include "DerivativeTypes.hpp"
+#include "DiagonalIntegratorFactory.hpp"
 #include "ForIdGreen.hpp"
 #include "GreenData.hpp"
 #include "GreensFunction.hpp"
@@ -105,7 +106,9 @@ namespace
     struct buildUniformDielectric {
         template <typename DerivativeType>
         IGreensFunction * operator()(const greenData & _data) {
-            return new UniformDielectric<DerivativeType>(_data.epsilon, _data.integrator);
+            DiagonalIntegrator * integrator = 
+		    DiagonalIntegratorFactory::TheDiagonalIntegratorFactory().createDiagonalIntegrator(_data.integratorType);
+            return new UniformDielectric<DerivativeType>(_data.epsilon, integrator);
         }
     };
 

src/green/Vacuum.hpp

@@ -36,6 +36,7 @@
 class DiagonalIntegrator;
 
 #include "DerivativeTypes.hpp"
+#include "DiagonalIntegratorFactory.hpp"
 #include "ForIdGreen.hpp"
 #include "GreenData.hpp"
 #include "GreensFunction.hpp"
@@ -104,7 +105,9 @@ namespace
     struct buildVacuum {
         template <typename DerivativeType>
         IGreensFunction * operator()(const greenData & _data) {
-            return new Vacuum<DerivativeType>(_data.integrator);
+            DiagonalIntegrator * integrator = 
+		    DiagonalIntegratorFactory::TheDiagonalIntegratorFactory().createDiagonalIntegrator(_data.integratorType);
+            return new Vacuum<DerivativeType>(integrator);
         }
     };
 

src/interface/Interface.cpp

@@ -512,25 +512,21 @@ void initCavity()
 
 void initSolver()
 {
-    // First of all create the integrator for the diagonal elements of the S and D operators
-    // in principle it could be a different integrator for the inside/outside Green's function
-    std::string integratorType("COLLOCATION");
-    DiagonalIntegrator * integrator = DiagonalIntegratorFactory::TheDiagonalIntegratorFactory().createDiagonalIntegrator(integratorType);
     GreensFunctionFactory & factory = GreensFunctionFactory::TheGreensFunctionFactory();
     // Get the input data for generating the inside & outside Green's functions
     // INSIDE
     double epsilon = parsedInput->epsilonInside();
     std::string greenType = parsedInput->greenInsideType();
     int greenDer = parsedInput->derivativeInsideType();
-    greenData inside(greenDer, epsilon, integrator);
+    greenData inside(greenDer, epsilon);
 
     IGreensFunction * gfInside = factory.createGreensFunction(greenType, inside);
 
     // OUTSIDE, reuse the variables holding the parameters for the Green's function inside.
     epsilon = parsedInput->epsilonOutside();
     greenType = parsedInput->greenOutsideType();
     greenDer = parsedInput->derivativeOutsideType();
-    greenData outside(greenDer, epsilon, integrator);
+    greenData outside(greenDer, epsilon);
 
     IGreensFunction * gfOutside = factory.createGreensFunction(greenType, outside);
     // And all this to finally create the solver!

src/utils/GreenData.hpp

@@ -55,23 +55,23 @@ class DiagonalIntegrator;
 struct greenData {
     int how;
     double epsilon;
+    std::string integratorType;
     double kappa;
     double epsilonReal;
     double epsilonImaginary;
     std::vector<double> spherePosition;
     double sphereRadius;
-    std::string integratorType;
     bool empty;
 
     greenData() { empty = true;}
-    greenData(int _how, double _epsilon = 1.0,
+    greenData(int _how, double _epsilon = 1.0, const std::string & _diag = "COLLOCATION",
               double _kappa = 0.0,
               double _epsReal = 0.0, double _epsImaginary = 0.0,
               const std::vector<double> & _sphere = std::vector<double>(),
-              double _sphRadius = 0.0, const std::string & _diag) :
-        how(_how), epsilon(_epsilon), kappa(_kappa), epsilonReal(_epsReal),
-        epsilonImaginary(_epsImaginary),
-        spherePosition(_sphere), sphereRadius(_sphRadius), integratorType(_diag) { empty = false; }
+              double _sphRadius = 0.0) :
+        how(_how), epsilon(_epsilon), integratorType(_diag), kappa(_kappa), 
+	epsilonReal(_epsReal), epsilonImaginary(_epsImaginary),
+        spherePosition(_sphere), sphereRadius(_sphRadius) { empty = false; }
 };
 
 #endif // GREENDATA_HPP

tests/green/CMakeLists.txt

@@ -1,4 +1,4 @@
-set(list_of_libraries green)
+set(list_of_libraries green bi_operators)
 
 list(APPEND external_libraries)
 add_boosttest(green_vacuum "${list_of_libraries}" "${external_libraries}")