G4MolecularConfiguration::G4MolecularConfigurationManager Class Reference

#include <G4MolecularConfiguration.hh>

Public Member Functions
	G4MolecularConfigurationManager ()
	~G4MolecularConfigurationManager ()
int	GetNumberOfCreatedSpecies ()
G4int	Insert (const G4MoleculeDefinition *molDef, const G4ElectronOccupancy &eOcc, G4MolecularConfiguration *molConf)
G4int	Insert (const G4MoleculeDefinition *molDef, int charge, G4MolecularConfiguration *molConf)
G4int	Insert (const G4MoleculeDefinition *molDef, const G4String &label, G4MolecularConfiguration *molConf)
void	AddUserID (const G4String &name, G4MolecularConfiguration *molecule)
void	RecordNewlyLabeledConfiguration (G4MolecularConfiguration *molConf)
const G4ElectronOccupancy *	FindCommonElectronOccupancy (const G4MoleculeDefinition *molDef, const G4ElectronOccupancy &eOcc)
G4MolecularConfiguration *	GetMolecularConfiguration (const G4MoleculeDefinition *molDef, const G4ElectronOccupancy &eOcc)
G4MolecularConfiguration *	GetMolecularConfiguration (const G4MoleculeDefinition *molDef, int charge)
G4MolecularConfiguration *	GetMolecularConfiguration (const G4MoleculeDefinition *molDef, const G4String &label)
G4MolecularConfiguration *	GetMolecularConfiguration (int moleculeID)
G4MolecularConfiguration *	GetMolecularConfiguration (const G4String &userID)
G4MolecularConfiguration *	GetOrCreateMolecularConfiguration (const G4MoleculeDefinition *molDef, const G4ElectronOccupancy &eOcc)
G4MolecularConfiguration *	GetOrCreateMolecularConfiguration (const G4MoleculeDefinition *molDef, int charge)
void	RemoveMolecularConfigurationFromTable (G4MolecularConfiguration *)
const std::vector < G4MolecularConfiguration * > &	GetAllSpecies ()
std::map< G4String, G4MolecularConfiguration * > &	GetUserIDTable ()

Static Public Attributes
static G4Mutex	fManagerCreationMutex

Detailed Description

Definition at line 341 of file G4MolecularConfiguration.hh.

Constructor & Destructor Documentation

G4MolecularConfiguration::G4MolecularConfigurationManager::G4MolecularConfigurationManager ( )

inline

Definition at line 344 of file G4MolecularConfiguration.hh.

                                      :
        fMoleculeCreationMutex()
    {
      fLastMoleculeID = -1;
    }

G4MolecularConfiguration::G4MolecularConfigurationManager::~G4MolecularConfigurationManager

(

)

Definition at line 150 of file G4MolecularConfiguration.cc.

{
//  G4cout << "Does G4AllocatorList exists= ";
//  G4cout << (G4AllocatorList::GetAllocatorListIfExist() ? "true":"false")
//      << G4endl;

  G4MolecularConfigurationManager::MolElectronConfTable::iterator it1;
  G4MolecularConfigurationManager::ElectronOccupancyTable::
    iterator it2;

  for (it1 = fElecOccTable.begin(); it1 != fElecOccTable.end(); it1++)
  {
    for (it2 = it1->second.begin(); it2 != it1->second.end(); it2++)
    {
      if (it2->second)
      {
        delete it2->second;
      }
    }
  }
  fElecOccTable.clear();
  fgManager = 0;
}

Member Function Documentation

void G4MolecularConfiguration::G4MolecularConfigurationManager::AddUserID	(	const G4String &	name,
		G4MolecularConfiguration *	molecule
	)

Definition at line 869 of file G4MolecularConfiguration.cc.

{
  UserIDTable::iterator it = fUserIDTable.find(userID);

  if(it == fUserIDTable.end())
  {
    fUserIDTable[userID] = molecule;
  }
  else if(molecule != it->second)
  {
    // TODO improve exception
    // exception
    G4ExceptionDescription description;
    description << "The user identifier " << userID
                << " was already given in another configuration in the table"
                << G4endl;
  G4Exception("G4MolecularConfiguration::G4MolecularConfigurationManager::AddUserID",
                "CONF_ALREADY_RECORDED",
                FatalException,
                description);
  }
}

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const G4ElectronOccupancy * G4MolecularConfiguration::G4MolecularConfigurationManager::FindCommonElectronOccupancy	(	const G4MoleculeDefinition *	molDef,
		const G4ElectronOccupancy &	eOcc
	)

Definition at line 217 of file G4MolecularConfiguration.cc.

{
  //G4AutoLock lock(&fMoleculeCreationMutex);

  MolElectronConfTable::iterator it1 = fElecOccTable.find(molDef);

  if(it1 == fElecOccTable.end())
  {
    // TODO = handle exception ?
    return 0;
  }

  ElectronOccupancyTable& table2 = it1->second;
  ElectronOccupancyTable::iterator it2 = table2.find(eOcc);

  //lock.unlock();

  if (it2 == table2.end())
  {
    // TODO = handle exception ?
    return 0;
  }

  return &(it2->first);
}

const std::vector<G4MolecularConfiguration*>& G4MolecularConfiguration::G4MolecularConfigurationManager::GetAllSpecies ( )

inline

Definition at line 412 of file G4MolecularConfiguration.hh.

    {
      return fMolConfPerID;
    }

G4MolecularConfiguration * G4MolecularConfiguration::G4MolecularConfigurationManager::GetMolecularConfiguration	(	const G4MoleculeDefinition *	molDef,
		const G4ElectronOccupancy &	eOcc
	)

Definition at line 248 of file G4MolecularConfiguration.cc.

{
  MolElectronConfTable::iterator it1 = fElecOccTable.find(molDef);

  if(it1 == fElecOccTable.end()) return 0;

  ElectronOccupancyTable& table2 = it1->second;
  ElectronOccupancyTable::iterator it = table2.find(eOcc);

  if(it == table2.end())
  {
    return 0;
  }
  else
  {
    return it->second;
  }

  return 0;
}

G4MolecularConfiguration * G4MolecularConfiguration::G4MolecularConfigurationManager::GetMolecularConfiguration	(	const G4MoleculeDefinition *	molDef,
		int	charge
	)

Definition at line 308 of file G4MolecularConfiguration.cc.

{
  //G4AutoLock lock(&fMoleculeCreationMutex);

  MolChargeConfTable::iterator it1 = fChargeTable.find(molDef);

  if(it1 == fChargeTable.end()) return 0;

  ChargeTable& table2 = it1->second;
  ChargeTable::iterator it = table2.find(charge);

  if(it == table2.end())
  {
    return 0;
  }
  else
  {
    return it->second;
  }

  return 0;

  //lock.unlock();
  return 0;
}

G4MolecularConfiguration * G4MolecularConfiguration::G4MolecularConfigurationManager::GetMolecularConfiguration	(	const G4MoleculeDefinition *	molDef,
		const G4String &	label
	)

Definition at line 920 of file G4MolecularConfiguration.cc.

{
  //G4AutoLock lock(&fMoleculeCreationMutex);

  MolLabelConfTable::iterator it1 = fLabelTable.find(molDef);

  if(it1 == fLabelTable.end()) return 0;

  LabelTable& table2 = it1->second;

  LabelTable::iterator it2 = table2.find(label);

  //lock.unlock();

  if(it2 == table2.end()) return 0;
  return it2->second;
}

G4MolecularConfiguration * G4MolecularConfiguration::G4MolecularConfigurationManager::GetMolecularConfiguration

(

int

moleculeID

)

Definition at line 943 of file G4MolecularConfiguration.cc.

{
  if(moleculeID > (int) fMolConfPerID.size() ||
     moleculeID < 0) return 0;

  return fMolConfPerID[moleculeID];
}

G4MolecularConfiguration * G4MolecularConfiguration::G4MolecularConfigurationManager::GetMolecularConfiguration

(

const G4String &

userID

)

Definition at line 1543 of file G4MolecularConfiguration.cc.

{
  for(auto it : fMolConfPerID)
  {
    if(it->GetUserID() == userID) return it;
  }
  return 0;
}

int G4MolecularConfiguration::G4MolecularConfigurationManager::GetNumberOfCreatedSpecies ( )

inline

Definition at line 351 of file G4MolecularConfiguration.hh.

    {
      return fLastMoleculeID+1;
    }

G4MolecularConfiguration * G4MolecularConfiguration::G4MolecularConfigurationManager::GetOrCreateMolecularConfiguration	(	const G4MoleculeDefinition *	molDef,
		const G4ElectronOccupancy &	eOcc
	)

Definition at line 1320 of file G4MolecularConfiguration.cc.

{
  MolElectronConfTable::iterator it1 = fElecOccTable.find(molDef);

  if(it1 == fElecOccTable.end())
  {
    return new G4MolecularConfiguration(molDef, eOcc);
  }

  ElectronOccupancyTable& table2 = it1->second;
  ElectronOccupancyTable::iterator it = table2.find(eOcc);

  if(it == table2.end())
  {
    G4MolecularConfiguration* molConf =
        new G4MolecularConfiguration(molDef, eOcc);
//    molConf->Finalize();
    return molConf;
  }
  else
  {
    return it->second;
  }

  return 0;
}

G4MolecularConfiguration * G4MolecularConfiguration::G4MolecularConfigurationManager::GetOrCreateMolecularConfiguration	(	const G4MoleculeDefinition *	molDef,
		int	charge
	)

Definition at line 1352 of file G4MolecularConfiguration.cc.

{
  MolChargeConfTable::iterator it1 = fChargeTable.find(molDef);

  if(it1 == fChargeTable.end())
  {
    G4AutoLock lock(&fMoleculeCreationMutex);

    G4MolecularConfiguration* newConf = new G4MolecularConfiguration(molDef, charge);
    return newConf ;
  }

  ChargeTable& table2 = it1->second;
  ChargeTable::iterator it = table2.find(charge);

  if(it == table2.end())
  {
    G4AutoLock lock(&fMoleculeCreationMutex);

    G4MolecularConfiguration* newConf =
        new G4MolecularConfiguration(molDef, charge);
//    newConf->Finalize();
    return newConf ;
  }
  else
  {
    return it->second;
  }

  return 0;
}

std::map<G4String, G4MolecularConfiguration*>& G4MolecularConfiguration::G4MolecularConfigurationManager::GetUserIDTable ( )

inline

Definition at line 417 of file G4MolecularConfiguration.hh.

    {
      return fUserIDTable;
    }

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G4int G4MolecularConfiguration::G4MolecularConfigurationManager::Insert	(	const G4MoleculeDefinition *	molDef,
		const G4ElectronOccupancy &	eOcc,
		G4MolecularConfiguration *	molConf
	)

Definition at line 178 of file G4MolecularConfiguration.cc.

{
  //G4AutoLock lock(&fMoleculeCreationMutex);

  ElectronOccupancyTable& table2 = fElecOccTable[molDef];
  ElectronOccupancyTable::iterator it = table2.find(eOcc);

  if(it == table2.end())
  {
    table2[eOcc] = molConf;
  }
  else
  {
    G4ExceptionDescription errMsg;
    errMsg << "The same molecular configuration seemed to be recorded twice";
    G4Exception("G4MolecularConfigurationManager::"
                "SetMolecularConfiguration(const G4MoleculeDefinition* molDef,"
                "const G4ElectronOccupancy& eOcc,"
                "G4MolecularConfiguration* molConf)",
                "",
                FatalException,
                errMsg
                );
  }

  fLastMoleculeID++;

  fMolConfPerID.push_back(molConf);

  //lock.unlock();
  return fLastMoleculeID;
}

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G4int G4MolecularConfiguration::G4MolecularConfigurationManager::Insert	(	const G4MoleculeDefinition *	molDef,
		int	charge,
		G4MolecularConfiguration *	molConf
	)

Definition at line 273 of file G4MolecularConfiguration.cc.

{

  //G4AutoLock lock(&fMoleculeCreationMutex);
  ChargeTable& table2 = fChargeTable[molDef];
  ChargeTable::iterator it = table2.find(charge);

  if(it == table2.end())
  {
    table2[charge] = molConf;
  }
  else
  {
    //lock.unlock();
    G4ExceptionDescription errMsg;
    errMsg << "The same molecular configuration seemed to be recorded twice";
    G4Exception("G4MolecularConfigurationManager::"
                "SetMolecularConfiguration(const G4MoleculeDefinition* molDef,"
                "int charge,"
                "G4MolecularConfiguration* molConf)",
                "", FatalException, errMsg);
  }

  fLastMoleculeID++;
  fMolConfPerID.push_back(molConf);
  //lock.unlock();
  return fLastMoleculeID;
}

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G4int G4MolecularConfiguration::G4MolecularConfigurationManager::Insert	(	const G4MoleculeDefinition *	molDef,
		const G4String &	label,
		G4MolecularConfiguration *	molConf
	)

Definition at line 955 of file G4MolecularConfiguration.cc.

{
  G4AutoLock lock(&fMoleculeCreationMutex);
  LabelTable& tmpMap = fLabelTable[molDef];
  LabelTable::iterator it = tmpMap.find(label);

  if(it == tmpMap.end())
  {
    fLastMoleculeID++;
    tmpMap[label] = molConf;
    lock.unlock();
  }
  else
  {
    lock.unlock();
    G4ExceptionDescription errMsg;
    errMsg << "The same molecular configuration seemed to be recorded twice";
    G4Exception("G4MolecularConfigurationManager::"
                "SetMolecularConfiguration(const G4MoleculeDefinition* molDef,"
                "const G4String& label,"
                "G4MolecularConfiguration* molConf)",
                "", FatalException, errMsg);
  }

  fMolConfPerID.push_back(molConf);

  return fLastMoleculeID;
}

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void G4MolecularConfiguration::G4MolecularConfigurationManager::RecordNewlyLabeledConfiguration

(

G4MolecularConfiguration *

molConf

)

Definition at line 843 of file G4MolecularConfiguration.cc.

{
  //G4AutoLock lock(&fMoleculeCreationMutex);

  LabelTable& tmpMap = fLabelTable[molConf->fMoleculeDefinition];

  LabelTable::iterator it = tmpMap.find(*molConf->fLabel);

  if(it == tmpMap.end())
  {
    tmpMap[*(molConf->fLabel)] = molConf;
  }
  else
  {
    G4ExceptionDescription errMsg;
    errMsg << "The same molecular configuration seemed to be recorded twice";
    G4Exception("G4MolecularConfigurationManager::"
                "SetMolecularConfiguration(const G4MoleculeDefinition* molDef,"
                "const G4String& label,"
                "G4MolecularConfiguration* molConf)",
                "", FatalException, errMsg);
  }

  //lock.unlock();
}

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void G4MolecularConfiguration::G4MolecularConfigurationManager::RemoveMolecularConfigurationFromTable

(

G4MolecularConfiguration *

configuration

)

Definition at line 896 of file G4MolecularConfiguration.cc.

{
  MolElectronConfTable::iterator it1 =
      fElecOccTable.find(configuration->GetDefinition());
  MolElectronConfTable::iterator end = fElecOccTable.end();

  if (it1 == end) return;

  std::map<G4ElectronOccupancy, G4MolecularConfiguration*, comparator>::
    iterator it2 =
      it1->second.find(*configuration->GetElectronOccupancy());

  if (it2 == it1->second.end()) return;

  it2->second = 0;
//  it1->second.erase(it2);

  configuration->fElectronOccupancy = 0;
}

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Member Data Documentation

G4Mutex MolecularConfigurationManager::fManagerCreationMutex

static

Definition at line 408 of file G4MolecularConfiguration.hh.

---

The documentation for this class was generated from the following files:

• source/geant4.10.03.p02/source/processes/electromagnetic/dna/molecules/management/include/G4MolecularConfiguration.hh
• source/geant4.10.03.p02/source/processes/electromagnetic/dna/molecules/management/src/G4MolecularConfiguration.cc