em/data/AtomicRelaxationData.hh

0001 //------------------------------- -*- C++ -*- -------------------------------//
0002 // Copyright Celeritas contributors: see top-level COPYRIGHT file for details
0003 // SPDX-License-Identifier: (Apache-2.0 OR MIT)
0004 //---------------------------------------------------------------------------//
0005 //! \file celeritas/em/data/AtomicRelaxationData.hh
0006 //---------------------------------------------------------------------------//
0007 #pragma once
0008
0009 #include "corecel/Macros.hh"
0010 #include "corecel/Types.hh"
0011 #include "corecel/cont/Range.hh"
0012 #include "corecel/data/Collection.hh"
0013 #include "corecel/data/CollectionBuilder.hh"
0014 #include "celeritas/Quantities.hh"
0015 #include "celeritas/Types.hh"
0016
0017 namespace celeritas
0018 {
0019 //---------------------------------------------------------------------------//
0020 /*!
0021  * Atomic relaxation transition data. The transition probabilities describe
0022  * both radiative and non-radiative transitions.
0023  */
0024 struct AtomicRelaxTransition
0025 {
0026     SubshellId initial_shell;  //!< Index of the originating shell
0027     SubshellId auger_shell;  //!< Index of the Auger electron shell
0028     real_type probability;
0029     units::MevEnergy energy;
0030 };
0031
0032 //---------------------------------------------------------------------------//
0033 /*!
0034  * Electron subshell data.
0035  */
0036 struct AtomicRelaxSubshell
0037 {
0038     ItemRange<AtomicRelaxTransition> transitions;
0039 };
0040
0041 //---------------------------------------------------------------------------//
0042 /*!
0043  * Elemental atomic relaxation data.
0044  */
0045 struct AtomicRelaxElement
0046 {
0047     ItemRange<AtomicRelaxSubshell> shells;
0048     size_type max_secondary;  //!< Maximum number of secondaries possible
0049
0050     //! Check whether the element is assigned (false for Z < 6).
0051     explicit CELER_FUNCTION operator bool() const
0052     {
0053         return !shells.empty() && max_secondary > 0;
0054     }
0055 };
0056
0057 struct AtomicRelaxIds
0058 {
0059     ParticleId electron;
0060     ParticleId gamma;
0061
0062     //! Check whether IDs are assigned
0063     explicit CELER_FUNCTION operator bool() const { return electron && gamma; }
0064 };
0065
0066 //---------------------------------------------------------------------------//
0067 /*!
0068  * Electron subshell transition data for atomic relaxation.
0069  */
0070 template<Ownership W, MemSpace M>
0071 struct AtomicRelaxParamsData
0072 {
0073     template<class T>
0074     using Items = Collection<T, W, M>;
0075     template<class T>
0076     using ElementItems = Collection<T, W, M, ElementId>;
0077
0078     //// MEMBER DATA ////
0079
0080     AtomicRelaxIds ids;
0081     Items<AtomicRelaxTransition> transitions;
0082     Items<AtomicRelaxSubshell> shells;
0083     ElementItems<AtomicRelaxElement> elements;
0084     size_type max_stack_size{};
0085
0086     //// MEMBER FUNCTIONS ////
0087
0088     //! Check whether the data is assigned
0089     explicit CELER_FUNCTION operator bool() const
0090     {
0091         return ids && !transitions.empty() && !shells.empty()
0092                && !elements.empty() && max_stack_size > 0;
0093     }
0094
0095     //! Assign from another set of data
0096     template<Ownership W2, MemSpace M2>
0097     AtomicRelaxParamsData& operator=(AtomicRelaxParamsData<W2, M2> const& other)
0098     {
0099         ids = other.ids;
0100         transitions = other.transitions;
0101         shells = other.shells;
0102         elements = other.elements;
0103         max_stack_size = other.max_stack_size;
0104         return *this;
0105     }
0106 };
0107
0108 using AtomicRelaxParamsRef = NativeCRef<AtomicRelaxParamsData>;
0109
0110 //---------------------------------------------------------------------------//
0111 /*!
0112  * Temporary data needed during interaction.
0113  */
0114 template<Ownership W, MemSpace M>
0115 struct AtomicRelaxStateData
0116 {
0117     template<class T>
0118     using Items = StateCollection<T, W, M>;
0119
0120     //! Storage for the stack of vacancy subshell IDs
0121     Items<SubshellId> scratch;  // 2D array: [num states][max stack size]
0122     size_type num_states;
0123
0124     //! Whether the interface is assigned
0125     explicit CELER_FUNCTION operator bool() const
0126     {
0127         return !scratch.empty() && num_states > 0;
0128     }
0129
0130     //! State size
0131     CELER_FUNCTION size_type size() const { return num_states; }
0132
0133     //! Assign from another set of states
0134     template<Ownership W2, MemSpace M2>
0135     AtomicRelaxStateData& operator=(AtomicRelaxStateData<W2, M2>& other)
0136     {
0137         scratch = other.scratch;
0138         num_states = other.num_states;
0139         return *this;
0140     }
0141 };
0142
0143 using AtomicRelaxStateRef = NativeRef<AtomicRelaxStateData>;
0144
0145 //---------------------------------------------------------------------------//
0146 /*!
0147  * Resize state data in host code.
0148  */
0149 template<MemSpace M>
0150 inline void resize(AtomicRelaxStateData<Ownership::value, M>* state,
0151                    HostCRef<AtomicRelaxParamsData> const& params,
0152                    size_type size)
0153 {
0154     CELER_EXPECT(size > 0);
0155     resize(&state->scratch, size * params.max_stack_size);
0156     state->num_states = size;
0157 }
0158
0159 //---------------------------------------------------------------------------//
0160 }  // namespace celeritas