Collaboration diagram for ObservableHelper:

Public Member Functions
	ObservableHelper (hdf_path title)
	Favored constructor. More...

	ObservableHelper (const ObservableHelper &)=delete
	delete copy constructor as hdf5 handlers must have unique owners More...

ObservableHelper &	operator= (const ObservableHelper &)=delete

	ObservableHelper (ObservableHelper &&) noexcept=default
	Move constructor. More...

ObservableHelper &	operator= (ObservableHelper &&) noexcept=default

	~ObservableHelper ()
	Destructor closes hdf5 remaining resources. More...

void	set_dimensions (const std::vector< int > &dims, int first)
	set the shape of this observable More...

template<typename T >
void	addProperty (T &p, const std::string &pname, hdf_archive &file)
	add named property to describe the collectable this helper class handles More...

void	addProperty (float &p, const std::string &pname, hdf_archive &file)

void	addProperty (Tensor< float, OHMMS_DIM > &p, const std::string &pname, hdf_archive &file)

void	addProperty (Matrix< float > &p, const std::string &pname, hdf_archive &file)

void	addProperty (TinyVector< float, OHMMS_DIM > &p, const std::string &pname, hdf_archive &file)

void	addProperty (std::vector< float > &p, const std::string &pname, hdf_archive &file)

void	addProperty (std::vector< TinyVector< float, OHMMS_DIM >> &p, const std::string &pname, hdf_archive &file)

void	write (const value_type *const first_v, hdf_archive &file)

Public Attributes
hsize_t	lower_bound = 0
	starting index More...

Private Attributes
hsize_t	current = 0
	"file pointer" for h5d_append More...

hdf_path	group_name
	Path of this observable. More...

std::vector< hsize_t >	mydims
	my dimensions More...

std::vector< hsize_t >	offsets
	offsets More...

Detailed Description

define ObservableHelper

This is a helper class to manage a hdf5 dagroup for each collectable. The data handled by an Estimator should be presented by dense N-dim array in C. /observables/title/value

Definition at line 36 of file ObservableHelper.h.

Constructor & Destructor Documentation

◆ ObservableHelper() [1/3]

ObservableHelper ( hdf_path title )

Favored constructor.

Parameters

[in] title is the ordered hdf5 group path elements of the observable

Definition at line 23 of file ObservableHelper.cpp.

23 : group_name(std::move(title)) {}

qmcplusplus::ObservableHelper::group_name

hdf_path group_name

Path of this observable.

Definition: ObservableHelper.h:98

◆ ObservableHelper() [2/3]

ObservableHelper ( const ObservableHelper & )

delete

delete copy constructor as hdf5 handlers must have unique owners

◆ ObservableHelper() [3/3]

ObservableHelper ( ObservableHelper && )

defaultnoexcept

Move constructor.

Parameters

in	input object to be moved to this

◆ ~ObservableHelper()

~ObservableHelper ( )

default

Destructor closes hdf5 remaining resources.

Member Function Documentation

◆ addProperty() [1/7]

void addProperty	(	T &	p,
		const std::string &	pname,
		hdf_archive &	file
	)

inline

add named property to describe the collectable this helper class handles

Parameters

p	any intrinsic datatype including vector, basic containers
pname	property

Definition at line 75 of file ObservableHelper.h.

References ObservableHelper::group_name, hdf_archive::pop(), hdf_archive::push(), and hdf_archive::write().

Referenced by EnergyDensityEstimator::registerCollectables(), StaticStructureFactor::registerCollectables(), SpaceGrid::registerCollectables(), NESpaceGrid< REAL >::registerGrid(), and ReferencePoints::save().

   {
     file.push(group_name, true);
     file.write(p, pname);
     file.pop();
   }

◆ addProperty() [2/7]

void addProperty	(	float &	p,
		const std::string &	pname,
		hdf_archive &	file
	)

Definition at line 37 of file ObservableHelper.cpp.

References ObservableHelper::group_name, hdf_archive::pop(), hdf_archive::push(), and hdf_archive::write().

 {
   double p_DP(p);
   file.push(group_name, true);
   file.write(p_DP, pname);
   file.pop();
 }

◆ addProperty() [3/7]

void addProperty	(	Tensor< float, OHMMS_DIM > &	p,
		const std::string &	pname,
		hdf_archive &	file
	)

Definition at line 45 of file ObservableHelper.cpp.

References ObservableHelper::group_name, hdf_archive::pop(), hdf_archive::push(), and hdf_archive::write().

 {
   Tensor<double, OHMMS_DIM> p_DP(p);
   file.push(group_name, true);
   file.write(p_DP, pname);
   file.pop();
 }

◆ addProperty() [4/7]

void addProperty	(	Matrix< float > &	p,
		const std::string &	pname,
		hdf_archive &	file
	)

Definition at line 53 of file ObservableHelper.cpp.

References ObservableHelper::group_name, hdf_archive::pop(), hdf_archive::push(), and hdf_archive::write().

 {
   Matrix<double> p_DP;
   p_DP = p;
   file.push(group_name, true);
   file.write(p_DP, pname);
   file.pop();
 }

◆ addProperty() [5/7]

void addProperty	(	TinyVector< float, OHMMS_DIM > &	p,
		const std::string &	pname,
		hdf_archive &	file
	)

Definition at line 62 of file ObservableHelper.cpp.

References ObservableHelper::group_name, hdf_archive::pop(), hdf_archive::push(), and hdf_archive::write().

 {
   TinyVector<double, OHMMS_DIM> p_DP(p);
   file.push(group_name, true);
   file.write(p_DP, pname);
   file.pop();
 }

◆ addProperty() [6/7]

void addProperty	(	std::vector< float > &	p,
		const std::string &	pname,
		hdf_archive &	file
	)

Definition at line 70 of file ObservableHelper.cpp.

References ObservableHelper::group_name, hdf_archive::pop(), hdf_archive::push(), and hdf_archive::write().

 {
   std::vector<double> p_DP;
   p_DP.assign(p.begin(), p.end());
   file.push(group_name, true);
   file.write(p_DP, pname);
   file.pop();
 }

◆ addProperty() [7/7]

void addProperty	(	std::vector< TinyVector< float, OHMMS_DIM >> &	p,
		const std::string &	pname,
		hdf_archive &	file
	)

Definition at line 79 of file ObservableHelper.cpp.

References ObservableHelper::group_name, hdf_archive::pop(), hdf_archive::push(), and hdf_archive::write().

 {
   std::vector<TinyVector<double, OHMMS_DIM>> p_DP;
   p_DP.assign(p.begin(), p.end());
   file.push(group_name, true);
   file.write(p_DP, pname);
   file.pop();
 }

◆ operator=() [1/2]

ObservableHelper& operator= ( const ObservableHelper & )

delete

◆ operator=() [2/2]

ObservableHelper& operator= ( ObservableHelper && )

defaultnoexcept

◆ set_dimensions()

void set_dimensions	(	const std::vector< int > &	dims,
		int	first
	)

set the shape of this observable

Parameters

dims	dimensions
first	starting index

Definition at line 27 of file ObservableHelper.cpp.

References copy(), qmcplusplus::dims, ObservableHelper::lower_bound, ObservableHelper::mydims, ObservableHelper::offsets, and qmcplusplus::rank.

Referenced by SpaceGrid::registerCollectables(), SpinDensity::registerCollectables(), DensityMatrices1B::registerCollectables(), NESpaceGrid< REAL >::registerGrid(), OperatorBase::registerObservables(), MagnetizationDensity::registerOperatorEstimator(), SpinDensityNew::registerOperatorEstimator(), OneBodyDensityMatrices::registerOperatorEstimator(), and qmcplusplus::TEST_CASE().

 {
   //rank is increased
   hsize_t rank = dims.size() + 1;
   mydims.resize(rank, 1);
   copy(dims.begin(), dims.end(), mydims.begin() + 1);
   offsets.resize(rank, 0);
   lower_bound = first;
 }

◆ write()

void write	(	const value_type *const	first_v,
		hdf_archive &	file
	)

Definition at line 90 of file ObservableHelper.cpp.

References ObservableHelper::current, ObservableHelper::group_name, qmcplusplus::h5d_append(), ObservableHelper::lower_bound, ObservableHelper::mydims, hdf_archive::pop(), hdf_archive::push(), qmcplusplus::rank, and hdf_archive::top().

 {
   hsize_t rank = mydims.size();
   if (rank)
   {
     file.push(group_name, true);
     h5d_append(file.top(), "value", current, rank, mydims.data(), first_v + lower_bound);
     file.pop();
   }
 }

Member Data Documentation

◆ current

hsize_t current = 0

private

"file pointer" for h5d_append

Definition at line 96 of file ObservableHelper.h.

Referenced by ObservableHelper::write().

◆ group_name

hdf_path group_name

private

Path of this observable.

Definition at line 98 of file ObservableHelper.h.

Referenced by ObservableHelper::addProperty(), and ObservableHelper::write().

◆ lower_bound

hsize_t lower_bound = 0

starting index

Definition at line 92 of file ObservableHelper.h.

Referenced by ObservableHelper::set_dimensions(), qmcplusplus::TEST_CASE(), and ObservableHelper::write().

◆ mydims

std::vector<hsize_t> mydims

private

my dimensions

Definition at line 100 of file ObservableHelper.h.

Referenced by ObservableHelper::set_dimensions(), and ObservableHelper::write().

◆ offsets

std::vector<hsize_t> offsets

private

offsets

Definition at line 102 of file ObservableHelper.h.

Referenced by ObservableHelper::set_dimensions().

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

/home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCHamiltonians/ObservableHelper.h
/home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCHamiltonians/ObservableHelper.cpp

Public Member Functions

Public Attributes

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ ObservableHelper() [1/3]

◆ ObservableHelper() [2/3]

◆ ObservableHelper() [3/3]

◆ ~ObservableHelper()

Member Function Documentation

◆ addProperty() [1/7]

◆ addProperty() [2/7]

◆ addProperty() [3/7]

◆ addProperty() [4/7]

◆ addProperty() [5/7]

◆ addProperty() [6/7]

◆ addProperty() [7/7]

◆ operator=() [1/2]

◆ operator=() [2/2]

◆ set_dimensions()

◆ write()

Member Data Documentation

◆ current

◆ group_name

◆ lower_bound

◆ mydims

◆ offsets