G4ExtDEDXTable.cc

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// $Id: G4ExtDEDXTable.cc 96794 2016-05-09 10:09:30Z gcosmo $
//
// ===========================================================================
// GEANT4 class source file
//
// Class:                G4ExtDEDXTable
//
// Base class:           G4VIonDEDXTable 
// 
// Author:               Anton Lechner (Anton.Lechner@cern.ch)
//
// First implementation: 29. 02. 2009
//
// Modifications:
// 03.11.2009 A. Lechner:  Added new methods BuildPhysicsVector according
//            to interface changes in base class G4VIonDEDXTable.
// 25.10.2010 V.Ivanchenko fixed bug in usage of iterators reported by the 
//            Coverity tool
// 01.11.2010 V.Ivanchenko fixed remaining bugs reported by Coverity 
//
//
// Class description:
//    Utility class for users to add their own electronic stopping powers
//    for ions. This class is dedicated for use with G4IonParametrisedLossModel
//    of the low-energy electromagnetic package.
//
// Comments:
//
// =========================================================================== 
//

#include "G4ExtDEDXTable.hh" 
#include "G4PhysicsVector.hh"
#include "G4PhysicsVectorType.hh"
#include "G4LPhysicsFreeVector.hh"
#include "G4PhysicsLogVector.hh"
#include "G4PhysicsFreeVector.hh"
#include "G4PhysicsOrderedFreeVector.hh"
#include "G4PhysicsLinearVector.hh"
#include "G4PhysicsLnVector.hh"
#include <fstream>
#include <sstream>
#include <iomanip>


// #########################################################################

G4ExtDEDXTable::G4ExtDEDXTable() {

}

// #########################################################################

G4ExtDEDXTable::~G4ExtDEDXTable() {

  ClearTable();
}

// #########################################################################

G4bool G4ExtDEDXTable::BuildPhysicsVector(G4int ionZ, G4int matZ) {

  return IsApplicable( ionZ, matZ );
}


// #########################################################################

G4bool G4ExtDEDXTable::BuildPhysicsVector(G4int ionZ, 
                                          const G4String& matName) {

  return IsApplicable( ionZ, matName );
}

// #########################################################################

G4bool G4ExtDEDXTable::IsApplicable(
         G4int atomicNumberIon,  // Atomic number of ion
         G4int atomicNumberElem  // Atomic number of elemental material
            )
{
  G4IonDEDXKeyElem key = std::make_pair(atomicNumberIon, atomicNumberElem);

  G4IonDEDXMapElem::iterator iter = dedxMapElements.find(key);

  return (iter == dedxMapElements.end()) ? false : true; 
}

// #########################################################################

G4bool G4ExtDEDXTable::IsApplicable(
         G4int atomicNumberIon,         // Atomic number of ion
         const G4String& matIdentifier  // Name or chemical formula of material
            )
{
  G4IonDEDXKeyMat key = std::make_pair(atomicNumberIon, matIdentifier);

  G4IonDEDXMapMat::iterator iter = dedxMapMaterials.find(key);

  return (iter == dedxMapMaterials.end()) ? false : true; 
}

// #########################################################################

G4PhysicsVector* G4ExtDEDXTable::GetPhysicsVector(
         G4int atomicNumberIon,        // Atomic number of ion
         G4int atomicNumberElem        // Atomic number of elemental material
            )
{
  G4IonDEDXKeyElem key = std::make_pair(atomicNumberIon, atomicNumberElem);

  G4IonDEDXMapElem::iterator iter = dedxMapElements.find(key);

  return (iter != dedxMapElements.end()) ? iter->second : nullptr; 
}

// #########################################################################

G4PhysicsVector*  G4ExtDEDXTable::GetPhysicsVector(
         G4int atomicNumberIon,        // Atomic number of ion
         const G4String& matIdentifier // Name or chemical formula of material
            )
{
  G4IonDEDXKeyMat key = std::make_pair(atomicNumberIon, matIdentifier);

  G4IonDEDXMapMat::iterator iter = dedxMapMaterials.find(key);

  return (iter != dedxMapMaterials.end()) ? iter->second : nullptr; 
}

// #########################################################################

G4double G4ExtDEDXTable::GetDEDX(
         G4double kinEnergyPerNucleon, // Kinetic energy per nucleon
         G4int atomicNumberIon,        // Atomic number of ion
         G4int atomicNumberElem        // Atomic number of elemental material
          )
{
  G4IonDEDXKeyElem key = std::make_pair(atomicNumberIon, atomicNumberElem);

  G4IonDEDXMapElem::iterator iter = dedxMapElements.find(key);

  return ( iter != dedxMapElements.end() ) ?
    (iter->second)->Value( kinEnergyPerNucleon) : 0.0;
}

// #########################################################################

G4double G4ExtDEDXTable::GetDEDX(
         G4double kinEnergyPerNucleon, // Kinetic energy per nucleon
         G4int atomicNumberIon,        // Atomic number of ion
         const G4String& matIdentifier // Name or chemical formula of material
          )
{
  G4IonDEDXKeyMat key = std::make_pair(atomicNumberIon, matIdentifier);

  G4IonDEDXMapMat::iterator iter = dedxMapMaterials.find(key);

  return (iter != dedxMapMaterials.end()) ?
    (iter->second)->Value( kinEnergyPerNucleon) : 0.0;
}

// #########################################################################

G4bool G4ExtDEDXTable::AddPhysicsVector(
        G4PhysicsVector* physicsVector, // Physics vector
  G4int atomicNumberIon,          // Atomic number of ion
        const G4String& matIdentifier,  // Name of elemental material
        G4int atomicNumberElem          // Atomic number of elemental material
              ) {

  if(physicsVector == nullptr) {
    G4Exception ("G4ExtDEDXTable::AddPhysicsVector() for material", 
     "mat037", FatalException, 
     "Pointer to vector is null-pointer.");
    return false;
  }

  if(matIdentifier.empty()) {
    G4Exception ("G4ExtDEDXTable::AddPhysicsVector() for material", 
                 "mat038", FatalException, "Invalid name of the material.");
     return false;
  }

  if(atomicNumberIon <= 2) {
    G4Exception ("G4ExtDEDXTable::AddPhysicsVector() for material", 
                 "mat039", FatalException, "Illegal atomic number.");
    return false;
  }

  if(atomicNumberElem > 0) {

     G4IonDEDXKeyElem key = std::make_pair(atomicNumberIon, atomicNumberElem);

     if(dedxMapElements.count(key) == 1) {
       G4Exception ("G4ExtDEDXTable::AddPhysicsVector() for material", 
        "mat037", FatalException, 
        "Vector already exist, remove it before replacing.");
       return false;
     }

     dedxMapElements[key] = physicsVector;
  }

  G4IonDEDXKeyMat mkey = std::make_pair(atomicNumberIon, matIdentifier);

  if(dedxMapMaterials.count(mkey) == 1) {
    G4Exception ("G4ExtDEDXTable::AddPhysicsVector() for material", 
     "mat037", FatalException, 
     "Vector already exist, remove it before replacing.");
    return false;
  }

  dedxMapMaterials[mkey] = physicsVector;

  return true;
}

// #########################################################################

G4bool G4ExtDEDXTable::RemovePhysicsVector(
  G4int atomicNumberIon,         // Atomic number of ion
        const G4String& matIdentifier  // Name or chemical formula of material
              ) {

  G4PhysicsVector* physicsVector = nullptr;

  // Deleting key of physics vector from material map
  G4IonDEDXKeyMat key = std::make_pair(atomicNumberIon, matIdentifier);

  G4IonDEDXMapMat::iterator iter = dedxMapMaterials.find(key);

  if(iter == dedxMapMaterials.end()) {
    G4Exception ("G4ExtDEDXTable::RemovePhysicsVector() for material", 
     "mat037", FatalException, 
     "Pointer to vector is null-pointer.");
    return false;
  }

  physicsVector = (*iter).second;
  dedxMapMaterials.erase(key);

  // Deleting key of physics vector from elemental material map (if it exists)
  G4IonDEDXMapElem::iterator it;
  
  for(it=dedxMapElements.begin(); it!=dedxMapElements.end(); ++it) {

     if( (*it).second == physicsVector ) {
        dedxMapElements.erase(it);
        break;
     }
  }

  // Deleting physics vector
  delete physicsVector;

  return true;
}

// #########################################################################

G4bool G4ExtDEDXTable::StorePhysicsTable(
         const G4String& fileName // File name
            ) {
  G4bool success = true;

  std::ofstream ofilestream;

  ofilestream.open( fileName, std::ios::out );

  if( !ofilestream ) {
    G4ExceptionDescription ed;
    ed << "Cannot open file " << fileName; 
    G4Exception ("G4IonStoppingData::StorePhysicsTable()", 
                 "mat030", FatalException, ed);
    success = false;
  }   
  else {

     size_t nmbMatTables = dedxMapMaterials.size();

     ofilestream << nmbMatTables << G4endl << G4endl; 

     G4IonDEDXMapMat::iterator iterMat = dedxMapMaterials.begin();
     G4IonDEDXMapMat::iterator iterMat_end = dedxMapMaterials.end();

     for(;iterMat != iterMat_end; iterMat++) {
         G4IonDEDXKeyMat key = iterMat -> first;
         G4PhysicsVector* physicsVector = iterMat -> second; 

         G4int atomicNumberIon = key.first;
         G4String matIdentifier = key.second;

         G4int atomicNumberElem = FindAtomicNumberElement(physicsVector);

         if(physicsVector != nullptr) {
        ofilestream << atomicNumberIon << "  " << matIdentifier;

            if(atomicNumberElem > 0) ofilestream << "  " << atomicNumberElem;

            ofilestream << "  # <Atomic number ion>  <Material name>  ";

            if(atomicNumberElem > 0) ofilestream << "<Atomic number element>";

            ofilestream << G4endl << physicsVector -> GetType() << G4endl;

            physicsVector -> Store(ofilestream, true);

            ofilestream << G4endl;
         } else {
     G4Exception ("G4IonStoppingData::StorePhysicsTable()", 
      "mat030", FatalException,"Cannot store vector.");
         }
     }
  }

  ofilestream.close();

  return success; 
}

// #########################################################################

G4bool G4ExtDEDXTable::RetrievePhysicsTable(const G4String& fileName) 
{ 
  std::ifstream ifilestream;
  ifilestream.open( fileName, std::ios::in|std::ios::binary );
  if( ! ifilestream ) {
    G4ExceptionDescription ed;
    ed << "Cannot open file " << fileName; 
    G4Exception ("G4IonStoppingData::RetrievePhysicsTable()", 
                 "mat030", FatalException, ed);
    return false;
  }   

  //std::string::size_type nmbVectors;
  G4int nmbVectors = 0;
  ifilestream >> nmbVectors;
  if( ifilestream.fail() || nmbVectors <= 0) { 
    G4cout << "G4ExtDEDXTable::RetrievePhysicsTable() " 
     << " File content of " << fileName << " ill-formated."
     << " Nvectors= " << nmbVectors
     << G4endl;
    ifilestream.close(); 
    return false; 
  }

  for(G4int i = 0; i<nmbVectors; ++i) {

    G4String line = "";
    // Loop checking, 07-Aug-2015, Vladimir Ivanchenko
    while( line.empty() ) {

      getline( ifilestream, line );
      if( ifilestream.fail() ) { 
  G4cout << "G4ExtDEDXTable::RetrievePhysicsTable() " 
         << " File content of " << fileName << " ill-formated." 
         << G4endl;
  ifilestream.close(); 
  return false; 
      }

      std::string::size_type pos = line.find_first_of("#");
      if(pos != std::string::npos && pos > 0) {
  line = line.substr(0, pos);
      }
    }

    std::istringstream headerstream( line );     

    std::string::size_type atomicNumberIon;
    headerstream >> atomicNumberIon;

    G4String materialName;
    headerstream >> materialName;

    if( headerstream.fail() || std::string::npos == atomicNumberIon) {
      G4cout << "G4ExtDEDXTable::RetrievePhysicsTable() " 
       << " File content of " << fileName << " ill-formated "
       << " (vector header)." 
       << G4endl;
      ifilestream.close();
      return false;
    } 

    std::string::size_type atomicNumberMat;
    headerstream >> atomicNumberMat;

    if( headerstream.eof() || std::string::npos == atomicNumberMat) { 
      atomicNumberMat = 0; 
    }

    G4int vectorType;
    ifilestream >> vectorType;
      
    G4PhysicsVector* physicsVector = CreatePhysicsVector(vectorType);

    if(physicsVector == nullptr) {
      G4cout << "G4ExtDEDXTable::RetrievePhysicsTable  "
       << " illegal physics Vector type " << vectorType
       << " in  " << fileName 
       << G4endl;
      ifilestream.close();
      return false;
    }

    if( !physicsVector -> Retrieve(ifilestream, true) ) {
      G4cout << "G4ExtDEDXTable::RetrievePhysicsTable() " 
       << " File content of " << fileName << " ill-formated." 
       << G4endl;
      ifilestream.close();
      return false;
    } 

    physicsVector -> SetSpline(true);

    // Retrieved vector is added to material store
    if( !AddPhysicsVector(physicsVector, (G4int)atomicNumberIon, 
        materialName, (G4int)atomicNumberMat) ) {

      delete physicsVector;
      ifilestream.close();
      return false;
    }
  }

  ifilestream.close();

  return true;
}

// #########################################################################

G4PhysicsVector* G4ExtDEDXTable::CreatePhysicsVector(G4int vectorType) {

  G4PhysicsVector* physicsVector = 0;

  switch (vectorType) {

  case T_G4PhysicsLinearVector: 
    physicsVector = new G4PhysicsLinearVector();
    break;

  case T_G4PhysicsLogVector: 
    physicsVector = new G4PhysicsLogVector();
    break;

  case T_G4PhysicsLnVector: 
    physicsVector = new G4PhysicsLnVector();
    break;

  case T_G4PhysicsFreeVector: 
    physicsVector = new G4PhysicsFreeVector();
    break;

  case T_G4PhysicsOrderedFreeVector: 
    physicsVector = new G4PhysicsOrderedFreeVector();
    break;

  case T_G4LPhysicsFreeVector: 
    physicsVector = new G4LPhysicsFreeVector();
    break;
  
  default:
    break;
  }
  return physicsVector;
}

// #########################################################################

G4int G4ExtDEDXTable::FindAtomicNumberElement(
                                   G4PhysicsVector* physicsVector
                                                   ) {

  G4int atomicNumber = 0;

  G4IonDEDXMapElem::iterator iter = dedxMapElements.begin();
  G4IonDEDXMapElem::iterator iter_end = dedxMapElements.end();
  
  for(;iter != iter_end; iter++) {

     if( (*iter).second == physicsVector ) {

        G4IonDEDXKeyElem key = (*iter).first;
        atomicNumber = key.second;
     }
  }

  return atomicNumber;
}

// #########################################################################

void G4ExtDEDXTable::ClearTable() {

  G4IonDEDXMapMat::iterator iterMat = dedxMapMaterials.begin();
  G4IonDEDXMapMat::iterator iterMat_end = dedxMapMaterials.end();

  for(;iterMat != iterMat_end; iterMat++) { 

    G4PhysicsVector* vec = iterMat -> second;

    if(vec != 0) delete vec;
  }

  dedxMapElements.clear();
  dedxMapMaterials.clear();
}

// #########################################################################

void G4ExtDEDXTable::DumpMap() {

  G4IonDEDXMapMat::iterator iterMat = dedxMapMaterials.begin();
  G4IonDEDXMapMat::iterator iterMat_end = dedxMapMaterials.end();

  G4cout << std::setw(15) << std::right
         << "Atomic nmb ion"
         << std::setw(25) << std::right
         << "Material name"
         << std::setw(25) << std::right
         << "Atomic nmb material"
         << G4endl;

  for(;iterMat != iterMat_end; iterMat++) {
      G4IonDEDXKeyMat key = iterMat -> first;
      G4PhysicsVector* physicsVector = iterMat -> second; 

      G4int atomicNumberIon = key.first;
      G4String matIdentifier = key.second;

      G4int atomicNumberElem = FindAtomicNumberElement(physicsVector);

      if(physicsVector != 0) {
         G4cout << std::setw(15) << std::right
                << atomicNumberIon
                << std::setw(25) << std::right
                << matIdentifier
                << std::setw(25) << std::right;

         if(atomicNumberElem > 0) G4cout << atomicNumberElem;
         else G4cout << "N/A";

         G4cout << G4endl;
      }
  }

}

// #########################################################################