rpc/scft/sweep/LinearSweep.tpp

#ifndef RPC_LINEAR_SWEEP_TPP
#define RPC_LINEAR_SWEEP_TPP
 
/*
* PSCF - Polymer Self-Consistent Field
*
* Copyright 2015 - 2025, The Regents of the University of Minnesota
* Distributed under the terms of the GNU General Public License.
*/
 
#include "LinearSweep.h"
#include <rpc/system/System.h>
 
namespace Pscf {
namespace Rpc {
 
   using namespace Util;
 
   template <int D>
   LinearSweep<D>::LinearSweep(System<D>& system)
   : Sweep<D>(system)
   {}
 
   template <int D>
   void LinearSweep<D>::readParameters(std::istream& in)
   {
      // Call the base class's readParameters function
      Sweep<D>::readParameters(in);
      
      // Read the number of sweep parameters, allocate parameters_ array
      read(in, "nParameter", nParameter_);
      parameters_.allocate(nParameter_);
 
      // Set the pointer to the array of specialized parameter types for 
      // each SweepParameter object
      for (int i = 0; i < nParameter_; ++i) {
         parameters_[i].setParameterTypesArray(
                        SweepTmpl< BasisFieldState<D> >::parameterTypes_);
      }
 
      // Read array of SweepParameters, calling << operator for each
      readDArray(in, "parameters", parameters_, nParameter_);
 
      // Verify net zero change in volume fractions, if these are swept
      double sum = 0.0;
      for (int i = 0; i < nParameter_; ++i) {
         if (parameters_[i].type() == "phi_polymer" || 
             parameters_[i].type() == "phi_solvent") 
         {
            sum += parameters_[i].change();
         }
      }
      UTIL_CHECK(sum > -0.000001);
      UTIL_CHECK(sum < 0.000001);
   }
 
   template <int D>
   void LinearSweep<D>::setup()
   {
      // Verify that the LinearSweep has a pointer to parent System
      UTIL_CHECK(hasSystem());
 
      // Call base class setup function
      Sweep<D>::setup();
      
      // Set system pointer and initial value for each parameter object
      for (int i = 0; i < nParameter_; ++i) {
         parameters_[i].setSystem(system());
         parameters_[i].getInitial();
      }
   }
 
   template <int D>
   void LinearSweep<D>::setParameters(double s)
   {
      // Update the system parameter values
      double newVal;
      for (int i = 0; i < nParameter_; ++i) {
         newVal = parameters_[i].initial() + s*parameters_[i].change();
         parameters_[i].update(newVal);
      }
   }
 
   template <int D>
   void LinearSweep<D>::outputSummary(std::ostream& out)
   {}
 
}
}
 
#endif