Line data    Source code

       1             : /**********************************************************************/
       2             : /*                     DO NOT MODIFY THIS HEADER                      */
       3             : /* MAGPIE - Mesoscale Atomistic Glue Program for Integrated Execution */
       4             : /*                                                                    */
       5             : /*            Copyright 2017 Battelle Energy Alliance, LLC            */
       6             : /*                        ALL RIGHTS RESERVED                         */
       7             : /**********************************************************************/
       8             : 
       9             : #pragma once
      10             : 
      11             : #include "MultiIndex.h"
      12             : #include "mytrim/ion.h"
      13             : 
      14             : /**
      15             :  * Implements a discrete PDF for sampling
      16             :  * PKAs
      17             :  */
      18             : class DiscretePKAPDFBase
      19             : {
      20             : public:
      21             :   /// default constructor
      22           0 :   DiscretePKAPDFBase() {}
      23             : 
      24             :   /// constructor setting all necessary values
      25             :   DiscretePKAPDFBase(const std::vector<unsigned int> & ZAID, const std::vector<Real> & energies);
      26             : 
      27             :   /// Uses the discrete probabilities for sampling the initial pka state
      28             :   virtual void drawSample(std::vector<MyTRIM_NS::IonBase> & initial_state) const = 0;
      29             : 
      30             :   /// accessor for getting the magnitude of this DiscretePKAPDF
      31             :   Real getMagnitude() const { return _magnitude; }
      32             : 
      33             : protected:
      34             :   /// NOTE: we pass by value here because we modify probabilities in the function for convenience
      35             :   virtual void precomputeCDF(MultiIndex<Real> probabilities) = 0;
      36             : 
      37             :   /// this method computes the magnitude but we cannot implement this in the base class
      38             :   virtual void computeMagnitude(MultiIndex<Real> probabilities) = 0;
      39             : 
      40             :   ///@{ helper function to draw a sample from a marginal probability function, returns "bin" id
      41             :   unsigned int sampleHelper(const MultiIndex<Real> & marginal_pdf) const;
      42             :   unsigned int sampleHelper(const MultiIndex<Real> & marginal_pdf,
      43             :                             const std::vector<unsigned int> indices) const;
      44             :   unsigned int sampleHelper(const std::vector<Real> & marginal_pdf) const;
      45             :   ///@}
      46             : 
      47             :   /// magnitude for correct scaling with potential other DiscretePKAPDFBase objects
      48             :   Real _magnitude;
      49             : 
      50             :   /// vector storing the Z,A values in ZAID form
      51             :   std::vector<unsigned int> _zaids;
      52             : 
      53             :   /// number of zaids
      54             :   unsigned int _nZA;
      55             : 
      56             :   /// the energy group boundaries
      57             :   std::vector<Real> _energies;
      58             : 
      59             :   /// number of energy groups
      60             :   unsigned int _ng;
      61             : };