RecordNamedProperty< T > Struct Template Reference

Vectorized record engine for scalar properties. More...

Inheritance diagram for RecordNamedProperty< T >:

Collaboration diagram for RecordNamedProperty< T >:

Public Member Functions
	RecordNamedProperty ()
	RecordNamedProperty (int n)
	RecordNamedProperty (const RecordNamedProperty< T > &a)
void	clear ()
T	operator[] (int i) const
T &	operator[] (int i)
std::vector< T >::iterator	begin ()
	iterators to use std algorithms More...
std::vector< T >::iterator	end ()
std::vector< T >::const_iterator	begin () const
std::vector< T >::const_iterator	end () const
int	add (const std::string &aname)
int	append (const std::string &aroot, int first, int last)
	add multiple items with the aroot More...
int	size () const
void	setValues (T v)
void	resize (int n)
void	reset (const char *fileroot, bool append=false) override
	implement virtual functions More...
void	report (int iter) override
void	finalize () override
bool	put (xmlNodePtr cur) override
Public Member Functions inherited from RecordProperty
	RecordProperty ()
virtual	~RecordProperty ()

Public Attributes
std::optional< std::ofstream >	OutStream
std::vector< T >	Values
std::vector< std::string >	Names
Public Attributes inherited from RecordProperty
int	stride
std::string	FileName

Detailed Description

template<class T>
struct RecordNamedProperty< T >

Vectorized record engine for scalar properties.

A series of values with the name is recorded as a table of multiple columns.

Definition at line 100 of file RecordProperty.h.

Constructor & Destructor Documentation

RecordNamedProperty() [1/3]

RecordNamedProperty ( )

inline

Definition at line 106 of file RecordProperty.h.

  {
    Values.reserve(20);
    Names.reserve(20);
  }

RecordNamedProperty() [2/3]

RecordNamedProperty ( int  n )

inlineexplicit

Definition at line 112 of file RecordProperty.h.

  {
    Values.resize(n, T());
    Names.resize(n);
  }

RecordNamedProperty() [3/3]

RecordNamedProperty ( const RecordNamedProperty< T > &  a )

inline

Definition at line 118 of file RecordProperty.h.

: OutStream(), Values(a.Values), Names(a.Names) {}

Member Function Documentation

add()

int add ( const std::string &  aname )

inline

Definition at line 136 of file RecordProperty.h.

Referenced by LocalEnergyOnlyEstimator::add2Record(), LocalEnergyEstimator::add2Record(), CSEnergyEstimator::add2Record(), RMCLocalEnergyEstimator::add2Record(), EstimatorManagerBase::addObservable(), MomentumEstimator::addObservables(), SkEstimator::addObservables(), SkAllEstimator::addObservables(), SpeciesKineticEnergy::addObservables(), LatticeDeviationEstimator::addObservables(), ACForce::addObservables(), ForwardWalking::addObservables(), ForceChiesaPBCAA::addObservables(), QMCHamiltonian::addObservables(), NonLocalECPotential::addObservables(), CoulombPBCAB::addObservables(), ForceBase::addObservablesF(), ForceBase::addObservablesStress(), EstimatorManagerBase::addProperty(), ParticleSet::addProperty(), OperatorBase::addValue(), ParticleSet::initPropertyList(), EstimatorManagerBase::reset(), EstimatorManagerNew::reset(), and EstimatorManagerNewTest::testMakeBlockAverages().

  {
    int i = 0;
    while (i < Names.size())
    {
      if (Names[i] == aname)
        return i;
      i++;
    }
    Names.push_back(aname);
    Values.push_back(T());
    return Names.size() - 1;
  }

append()

int append ( const std::string &  aroot, int  first, int  last  )

inline

add multiple items with the aroot

Parameters

aroot	root
first	first index
last	last index

Returns

the last valid index

Definition at line 156 of file RecordProperty.h.

Referenced by RecordNamedProperty< RealType >::reset().

  {
    for (int i = first; i < last; ++i)
    {
      std::ostringstream o;
      o << aroot << i;
      Names.push_back(o.str());
      Values.push_back(T());
    }
    return Values.size();
  }

begin() [1/2]

std::vector<T>::iterator begin ( )

inline

iterators to use std algorithms

Definition at line 130 of file RecordProperty.h.

Referenced by MomentumEstimator::setObservables(), SkEstimator::setObservables(), SpeciesKineticEnergy::setObservables(), SkAllEstimator::setObservables(), LatticeDeviationEstimator::setObservables(), ForwardWalking::setObservables(), MomentumEstimator::setParticlePropertyList(), SkEstimator::setParticlePropertyList(), SkAllEstimator::setParticlePropertyList(), and ForwardWalking::setParticlePropertyList().

{ return Values.begin(); }

begin() [2/2]

std::vector<T>::const_iterator begin ( ) const

inline

Definition at line 132 of file RecordProperty.h.

{ return Values.begin(); }

clear()

void clear ( )

inline

Definition at line 120 of file RecordProperty.h.

Referenced by ParticleSet::initPropertyList(), EstimatorManagerBase::reset(), and EstimatorManagerNew::reset().

  {
    Names.clear();
    Values.clear();
  }

end() [1/2]

std::vector<T>::iterator end ( )

inline

Definition at line 131 of file RecordProperty.h.

{ return Values.end(); }

end() [2/2]

std::vector<T>::const_iterator end ( ) const

inline

Definition at line 133 of file RecordProperty.h.

{ return Values.end(); }

finalize()

void finalize ( )

inlineoverridevirtual

Implements RecordProperty.

Definition at line 223 of file RecordProperty.h.

{}

operator[]() [1/2]

T operator[] ( int  i ) const

inline

Definition at line 126 of file RecordProperty.h.

{ return Values[i]; }

operator[]() [2/2]

T& operator[] ( int  i )

inline

Definition at line 127 of file RecordProperty.h.

{ return Values[i]; }

put()

bool put ( xmlNodePtr  cur )

overridevirtual

Implements RecordProperty.

Definition at line 228 of file RecordProperty.h.

{
  xmlAttrPtr att = cur->properties;
  while (att != NULL)
  {
    std::string aname((const char*)(att->name));
    if (aname == "stride")
    {
      stride = atoi((const char*)(att->children->content));
    }
    att = att->next;
  }
  return true;
}

report()

void report ( int  iter )

inlineoverridevirtual

Implements RecordProperty.

Definition at line 213 of file RecordProperty.h.

  {
    if (stride && iter % stride == 0)
    {
      for (int i = 0; i < Values.size(); i++)
        (*OutStream) << std::setw(15) << Values[i];
      (*OutStream) << std::endl;
    }
  }

reset()

void reset ( const char *  fileroot, bool  append = false  )

inlineoverridevirtual

implement virtual functions

Implements RecordProperty.

Definition at line 191 of file RecordProperty.h.

  {
    if (append)
    {
      OutStream = std::ofstream(fileroot, std::ios_base::app);
    }
    else
    {
      OutStream = std::ofstream(fileroot);
    }
    if (!append)
    {
      OutStream->setf(std::ios::left, std::ios::adjustfield);
      *OutStream << "#   ";
      for (int i = 0; i < Names.size(); i++)
        (*OutStream) << std::setw(15) << Names[i].c_str();
      (*OutStream) << std::endl;
    }
    OutStream->setf(std::ios::scientific, std::ios::floatfield);
    OutStream->setf(std::ios::right, std::ios::adjustfield);
  }

resize()

void resize ( int  n )

inline

Definition at line 176 of file RecordProperty.h.

  {
    std::vector<T> a           = Values;
    std::vector<std::string> b = Names;
    Values.resize(n, T());
    for (int i = 0; i < a.size(); i++)
      Values[i] = a[i];
    //std::copy_n(a.begin(), a.size(), Values.begin());
    Names.resize(n);
    for (int i = 0; i < a.size(); i++)
      Names[i] = b[i];
    //std::copy_n(b.begin(), b.size(), Name.begin());
  }

setValues()

void setValues ( T  v )

inline

Definition at line 170 of file RecordProperty.h.

Referenced by EstimatorManagerBase::start(), and EstimatorManagerNew::startDriverRun().

  {
    for (int i = 0; i < Values.size(); i++)
      Values[i] = v;
  }

size()

int size ( void  ) const

inline

Definition at line 168 of file RecordProperty.h.

Referenced by CollectablesEstimator::add2Record(), LocalEnergyEstimator::add2Record(), CSEnergyEstimator::add2Record(), RMCLocalEnergyEstimator::add2Record(), EstimatorManagerNew::addHeader(), EstimatorManagerBase::addHeader(), MomentumEstimator::addObservables(), SkEstimator::addObservables(), SkAllEstimator::addObservables(), SpeciesKineticEnergy::addObservables(), LatticeDeviationEstimator::addObservables(), ACForce::addObservables(), ForwardWalking::addObservables(), NonLocalECPotential::addObservables(), ForceBase::addObservablesF(), ForceBase::addObservablesStress(), EstimatorManagerBase::collectBlockAverages(), MCPopulation::createWalkers(), MCWalkerConfiguration::loadEnsemble(), EstimatorManagerBase::reset(), EstimatorManagerNew::reset(), MCWalkerConfiguration::resetWalkerProperty(), EstimatorManagerBase::start(), EstimatorManagerNew::startDriverRun(), EstimatorManagerNewTest::testMakeBlockAverages(), and EstimatorManagerNew::writeScalarH5().

{ return Names.size(); }

Member Data Documentation

Names

std::vector<std::string> Names

Definition at line 104 of file RecordProperty.h.

Referenced by RecordNamedProperty< RealType >::add(), EstimatorManagerNew::addHeader(), EstimatorManagerBase::addHeader(), RecordNamedProperty< RealType >::append(), RecordNamedProperty< RealType >::clear(), ParticleSet::ParticleSet(), ForwardWalking::putSpecial(), RecordNamedProperty< RealType >::RecordNamedProperty(), RecordNamedProperty< RealType >::reset(), RecordNamedProperty< RealType >::resize(), and RecordNamedProperty< RealType >::size().

OutStream

std::optional<std::ofstream> OutStream

Definition at line 102 of file RecordProperty.h.

Referenced by RecordNamedProperty< RealType >::report(), and RecordNamedProperty< RealType >::reset().

Values

std::vector<T> Values

Definition at line 103 of file RecordProperty.h.

Referenced by RecordNamedProperty< RealType >::add(), RecordNamedProperty< RealType >::append(), RecordNamedProperty< RealType >::begin(), RecordNamedProperty< RealType >::clear(), RecordNamedProperty< RealType >::end(), RecordNamedProperty< RealType >::operator[](), ParticleSet::ParticleSet(), RecordNamedProperty< RealType >::RecordNamedProperty(), RecordNamedProperty< RealType >::report(), RecordNamedProperty< RealType >::resize(), and RecordNamedProperty< RealType >::setValues().

---

The documentation for this struct was generated from the following file:

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/io/OhmmsData/RecordProperty.h