#include <G4MolecularConfiguration.hh>

Public Member Functions
void	AddUserID (const G4String &name, G4MolecularConfiguration *molecule)

const G4ElectronOccupancy *	FindCommonElectronOccupancy (const G4MoleculeDefinition *molDef, const G4ElectronOccupancy &eOcc)

	G4MolecularConfigurationManager ()

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

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

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

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

G4MolecularConfiguration *	GetMolecularConfiguration (const G4String &userID)

G4MolecularConfiguration *	GetMolecularConfiguration (int moleculeID)

int	GetNumberOfCreatedSpecies ()

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

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

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

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

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

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

void	RecordNewlyLabeledConfiguration (G4MolecularConfiguration *molConf)

void	RemoveMolecularConfigurationFromTable (G4MolecularConfiguration *)

	~G4MolecularConfigurationManager ()

Static Public Attributes
static G4Mutex	fManagerCreationMutex

Private Types
typedef std::map< int, G4MolecularConfiguration * >	ChargeTable

typedef std::map< G4ElectronOccupancy, G4MolecularConfiguration *, comparator >	ElectronOccupancyTable

typedef std::map< const G4String, G4MolecularConfiguration * >	LabelTable

typedef std::map< const G4MoleculeDefinition *, ChargeTable >	MolChargeConfTable

typedef std::map< const G4MoleculeDefinition *, ElectronOccupancyTable >	MolElectronConfTable

typedef std::map< const G4MoleculeDefinition , std::map< const G4String, G4MolecularConfiguration > >	MolLabelConfTable

typedef std::map< G4String, G4MolecularConfiguration * >	UserIDTable

Private Attributes
MolChargeConfTable	fChargeTable

MolElectronConfTable	fElecOccTable

MolLabelConfTable	fLabelTable

G4int	fLastMoleculeID

std::vector< G4MolecularConfiguration * >	fMolConfPerID

G4Mutex	fMoleculeCreationMutex

UserIDTable	fUserIDTable

Detailed Description

Definition at line 340 of file G4MolecularConfiguration.hh.

Member Typedef Documentation

◆ ChargeTable

typedef std::map<int, G4MolecularConfiguration*> G4MolecularConfiguration::G4MolecularConfigurationManager::ChargeTable

private

Definition at line 430 of file G4MolecularConfiguration.hh.

◆ ElectronOccupancyTable

typedef std::map<G4ElectronOccupancy, G4MolecularConfiguration*, comparator> G4MolecularConfiguration::G4MolecularConfigurationManager::ElectronOccupancyTable

private

Definition at line 423 of file G4MolecularConfiguration.hh.

◆ LabelTable

typedef std::map<const G4String, G4MolecularConfiguration*> G4MolecularConfiguration::G4MolecularConfigurationManager::LabelTable

private

Definition at line 437 of file G4MolecularConfiguration.hh.

◆ MolChargeConfTable

typedef std::map<const G4MoleculeDefinition*, ChargeTable> G4MolecularConfiguration::G4MolecularConfigurationManager::MolChargeConfTable

private

Definition at line 432 of file G4MolecularConfiguration.hh.

◆ MolElectronConfTable

typedef std::map<const G4MoleculeDefinition*, ElectronOccupancyTable > G4MolecularConfiguration::G4MolecularConfigurationManager::MolElectronConfTable

private

Definition at line 425 of file G4MolecularConfiguration.hh.

◆ MolLabelConfTable

typedef std::map<const G4MoleculeDefinition*, std::map<const G4String, G4MolecularConfiguration*> > G4MolecularConfiguration::G4MolecularConfigurationManager::MolLabelConfTable

private

Definition at line 439 of file G4MolecularConfiguration.hh.

◆ UserIDTable

typedef std::map<G4String, G4MolecularConfiguration*> G4MolecularConfiguration::G4MolecularConfigurationManager::UserIDTable

private

Definition at line 443 of file G4MolecularConfiguration.hh.

Constructor & Destructor Documentation

◆ G4MolecularConfigurationManager()

G4MolecularConfiguration::G4MolecularConfigurationManager::G4MolecularConfigurationManager ( )

inline

Definition at line 343 of file G4MolecularConfiguration.hh.

                                      :
        fMoleculeCreationMutex()
    {
      fLastMoleculeID = -1;
    }

References fLastMoleculeID.

◆ ~G4MolecularConfigurationManager()

G4MolecularConfiguration::G4MolecularConfigurationManager::~G4MolecularConfigurationManager ( )

Definition at line 148 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;
}

References fElecOccTable, and G4MolecularConfiguration::fgManager.

Member Function Documentation

◆ AddUserID()

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

Definition at line 852 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);
  }
}

References FatalException, G4endl, and G4Exception().

Referenced by G4MolecularConfiguration::CreateMolecularConfiguration(), and G4MolecularConfiguration::SetUserID().

◆ FindCommonElectronOccupancy()

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

Definition at line 215 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);
}

Referenced by G4MolecularConfiguration::G4MolecularConfiguration().

◆ GetAllSpecies()

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

inline

Definition at line 408 of file G4MolecularConfiguration.hh.

    {
      return fMolConfPerID;
    }

References fMolConfPerID.

Referenced by G4MolecularConfiguration::FinalizeAll().

◆ GetMolecularConfiguration() [1/5]

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

Definition at line 246 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;
}

Referenced by G4MolecularConfiguration::ChangeConfiguration(), G4MolecularConfiguration::CreateMolecularConfiguration(), G4MolecularConfiguration::GetMolecularConfiguration(), and G4MolecularConfiguration::GetOrCreateMolecularConfiguration().

◆ GetMolecularConfiguration() [2/5]

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

Definition at line 902 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;
}

◆ GetMolecularConfiguration() [3/5]

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

Definition at line 306 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;
}

◆ GetMolecularConfiguration() [4/5]

G4MolecularConfiguration * G4MolecularConfiguration::G4MolecularConfigurationManager::GetMolecularConfiguration ( const G4String & userID )

Definition at line 1525 of file G4MolecularConfiguration.cc.

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

◆ GetMolecularConfiguration() [5/5]

G4MolecularConfiguration * G4MolecularConfiguration::G4MolecularConfigurationManager::GetMolecularConfiguration ( int moleculeID )

Definition at line 925 of file G4MolecularConfiguration.cc.

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

◆ GetNumberOfCreatedSpecies()

int G4MolecularConfiguration::G4MolecularConfigurationManager::GetNumberOfCreatedSpecies ( )

inline

Definition at line 350 of file G4MolecularConfiguration.hh.

    {
      return fLastMoleculeID+1;
    }

References fLastMoleculeID.

Referenced by G4MolecularConfiguration::GetNumberOfSpecies().

◆ GetOrCreateMolecularConfiguration() [1/2]

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

Definition at line 1302 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;
}

References G4MolecularConfiguration::G4MolecularConfiguration().

Referenced by G4MolecularConfiguration::GetOrCreateMolecularConfiguration().

◆ GetOrCreateMolecularConfiguration() [2/2]

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

Definition at line 1334 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;
}

References G4MolecularConfiguration::G4MolecularConfiguration().

◆ GetUserIDTable()

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

inline

Definition at line 413 of file G4MolecularConfiguration.hh.

    {
      return fUserIDTable;
    }

References fUserIDTable.

Referenced by G4MolecularConfiguration::GetUserIDTable().

◆ Insert() [1/3]

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

Definition at line 175 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;
}

References FatalException, and G4Exception().

Referenced by G4MolecularConfiguration::G4MolecularConfiguration().

◆ Insert() [2/3]

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

Definition at line 937 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;
}

References FatalException, G4Exception(), and G4TemplateAutoLock< _Mutex_t >::unlock().

◆ Insert() [3/3]

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

Definition at line 271 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;
}

References FatalException, and G4Exception().

◆ RecordNewlyLabeledConfiguration()

void G4MolecularConfiguration::G4MolecularConfigurationManager::RecordNewlyLabeledConfiguration ( G4MolecularConfiguration * molConf )

Definition at line 825 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();
}

References FatalException, G4MolecularConfiguration::fLabel, G4MolecularConfiguration::fMoleculeDefinition, and G4Exception().

Referenced by G4MolecularConfiguration::G4MolecularConfiguration(), and G4MolecularConfiguration::SetLabel().

◆ RemoveMolecularConfigurationFromTable()

void G4MolecularConfiguration::G4MolecularConfigurationManager::RemoveMolecularConfigurationFromTable ( G4MolecularConfiguration * configuration )

Definition at line 878 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;
}

References G4MolecularConfiguration::fElectronOccupancy, G4MolecularConfiguration::GetDefinition(), and G4MolecularConfiguration::GetElectronOccupancy().

Referenced by G4MolecularConfiguration::~G4MolecularConfiguration().

Field Documentation

◆ fChargeTable

MolChargeConfTable G4MolecularConfiguration::G4MolecularConfigurationManager::fChargeTable

private

Definition at line 433 of file G4MolecularConfiguration.hh.

◆ fElecOccTable

MolElectronConfTable G4MolecularConfiguration::G4MolecularConfigurationManager::fElecOccTable

private

Definition at line 426 of file G4MolecularConfiguration.hh.

Referenced by ~G4MolecularConfigurationManager().

◆ fLabelTable

MolLabelConfTable G4MolecularConfiguration::G4MolecularConfigurationManager::fLabelTable

private

Definition at line 440 of file G4MolecularConfiguration.hh.

◆ fLastMoleculeID

G4int G4MolecularConfiguration::G4MolecularConfigurationManager::fLastMoleculeID

private

Definition at line 451 of file G4MolecularConfiguration.hh.

Referenced by G4MolecularConfigurationManager(), and GetNumberOfCreatedSpecies().

◆ fManagerCreationMutex

G4Mutex MolecularConfigurationManager::fManagerCreationMutex

static

Definition at line 404 of file G4MolecularConfiguration.hh.

Referenced by G4MolecularConfiguration::DeleteManager(), and G4MolecularConfiguration::GetManager().

◆ fMolConfPerID

std::vector<G4MolecularConfiguration*> G4MolecularConfiguration::G4MolecularConfigurationManager::fMolConfPerID

private

Definition at line 447 of file G4MolecularConfiguration.hh.

Referenced by GetAllSpecies().

◆ fMoleculeCreationMutex

G4Mutex G4MolecularConfiguration::G4MolecularConfigurationManager::fMoleculeCreationMutex

private

Definition at line 452 of file G4MolecularConfiguration.hh.

◆ fUserIDTable

UserIDTable G4MolecularConfiguration::G4MolecularConfigurationManager::fUserIDTable

private

Definition at line 444 of file G4MolecularConfiguration.hh.

Referenced by GetUserIDTable().

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

source/processes/electromagnetic/dna/molecules/management/include/G4MolecularConfiguration.hh
source/processes/electromagnetic/dna/molecules/management/src/G4MolecularConfiguration.cc

Public Member Functions

Static Public Attributes

Private Types

Private Attributes

Detailed Description

Member Typedef Documentation

◆ ChargeTable

◆ ElectronOccupancyTable

◆ LabelTable

◆ MolChargeConfTable

◆ MolElectronConfTable

◆ MolLabelConfTable

◆ UserIDTable

Constructor & Destructor Documentation

◆ G4MolecularConfigurationManager()

◆ ~G4MolecularConfigurationManager()

Member Function Documentation

◆ AddUserID()

◆ FindCommonElectronOccupancy()

◆ GetAllSpecies()

◆ GetMolecularConfiguration() [1/5]

◆ GetMolecularConfiguration() [2/5]

◆ GetMolecularConfiguration() [3/5]

◆ GetMolecularConfiguration() [4/5]

◆ GetMolecularConfiguration() [5/5]

◆ GetNumberOfCreatedSpecies()

◆ GetOrCreateMolecularConfiguration() [1/2]

◆ GetOrCreateMolecularConfiguration() [2/2]

◆ GetUserIDTable()

◆ Insert() [1/3]

◆ Insert() [2/3]

◆ Insert() [3/3]

◆ RecordNewlyLabeledConfiguration()

◆ RemoveMolecularConfigurationFromTable()

Field Documentation

◆ fChargeTable

◆ fElecOccTable

◆ fLabelTable

◆ fLastMoleculeID

◆ fManagerCreationMutex

◆ fMolConfPerID

◆ fMoleculeCreationMutex

◆ fUserIDTable