Partition function using Rauscher-Thielemann tabulated normalized G-values. More...

#include <partition_rauscher_thielemann.h>

Inheritance diagram for gridfire::partition::RauscherThielemannPartitionFunction:

Classes
struct	IdentifiedIsotope

struct	InterpolationPoints

struct	IsotopeData

Public Member Functions
	RauscherThielemannPartitionFunction ()
	Construct and populate partition data.

double	evaluate (int z, int a, double T9) const override
	Evaluate partition function for isotope at temperature.

double	evaluateDerivative (int z, int a, double T9) const override
	Evaluate temperature derivative of partition function.

bool	supports (int z, int a) const override
	Check if partition data exists for given isotope.

std::string	type () const override
	Get type identifier for this partition function.

std::unique_ptr< PartitionFunction >	clone () const override
	Clone this partition function instance.

Public Member Functions inherited from gridfire::partition::PartitionFunction
virtual	~PartitionFunction ()=default
	Virtual destructor.

Private Types
enum	Bounds { FRONT , BACK , MIDDLE }
	Indicator for temperature grid bound position. More...

Private Member Functions
IdentifiedIsotope	find (int z, int a, double T9) const
	Identify isotope entry and grid indices for given T9.

Static Private Member Functions
static InterpolationPoints	get_interpolation_points (const size_t upper_index, const size_t lower_index, const std::array< double, 24 > &normalized_g_values)
	Get interpolation points from normalized G array.

static constexpr int	make_key (int z, int a)
	Generate integer key for isotope (z,a).

Private Attributes
quill::Logger *	m_logger = fourdst::logging::LogManager::getInstance().getLogger("log")

std::unordered_map< int, IsotopeData >	m_partitionData
	Map of isotope key to data.

Detailed Description

Partition function using Rauscher-Thielemann tabulated normalized G-values.

Loads isotope partition data from embedded records and computes values by selecting boundary data or interpolating between grid points on a fixed T9 grid. Implementation in partition_rauscher_thielemann.cpp.

Exceptions

std::out_of_range If requested isotope data is missing.

Member Enumeration Documentation

◆ Bounds

enum gridfire::partition::RauscherThielemannPartitionFunction::Bounds

private

Indicator for temperature grid bound position.

Enumerator
FRONT	Below first grid point.
BACK	Above last grid point.
MIDDLE	Between grid points.

Constructor & Destructor Documentation

◆ RauscherThielemannPartitionFunction()

gridfire::partition::RauscherThielemannPartitionFunction::RauscherThielemannPartitionFunction ( )

Construct and populate partition data.

Reads embedded RT partition data records and fills m_partitionData.

Precondition: Embedded data arrays are available and non-empty.

Postcondition: m_partitionData contains entries for all isotopes in data.

Member Function Documentation

◆ clone()

std::unique_ptr< PartitionFunction > gridfire::partition::RauscherThielemannPartitionFunction::clone ( ) const

inlineoverridevirtual

Clone this partition function instance.

Returns: Unique pointer to a copy of this object.

Postcondition: Caller owns the returned object.

Implements gridfire::partition::PartitionFunction.

◆ evaluate()

double gridfire::partition::RauscherThielemannPartitionFunction::evaluate	(	int	z,
		int	a,
		double	T9 ) const

overridevirtual

Evaluate partition function for isotope at temperature.

Retrieves boundary or interpolated normalized G-value and scales by (2J+1).

Parameters

z	Atomic number of the isotope (>=1).
a	Mass number of the isotope (>=z).
T9	Temperature in units of 10^9 K.

Returns: Dimensionless partition function.

Precondition: supports(z,a) returns true.

Postcondition: No side effects.

Exceptions

std::out_of_range If isotope key not found in m_partitionData.

Implements gridfire::partition::PartitionFunction.

◆ evaluateDerivative()

double gridfire::partition::RauscherThielemannPartitionFunction::evaluateDerivative	(	int	z,
		int	a,
		double	T9 ) const

overridevirtual

Evaluate temperature derivative of partition function.

Zero at grid extremes; otherwise derivative of linear interpolation.

Parameters

z	Atomic number (>=1).
a	Mass number (>=z).
T9	Temperature in 10^9 K.

Returns: d(PartitionFunction)/dT9.

Precondition: supports(z,a) returns true.

Postcondition: No side effects.

Exceptions

std::out_of_range If isotope data is missing.

Implements gridfire::partition::PartitionFunction.

◆ find()

RauscherThielemannPartitionFunction::IdentifiedIsotope gridfire::partition::RauscherThielemannPartitionFunction::find	(	int	z,
		int	a,
		double	T9 ) const

private

Identify isotope entry and grid indices for given T9.

Parameters

z	Atomic number of isotope.
a	Mass number of isotope.
T9	Temperature in 10^9 K.

Returns: IdentifiedIsotope with data reference and indices.

Exceptions

std::out_of_range If isotope not found in m_partitionData.

◆ get_interpolation_points()

RauscherThielemannPartitionFunction::InterpolationPoints gridfire::partition::RauscherThielemannPartitionFunction::get_interpolation_points	(	const size_t	upper_index,
		const size_t	lower_index,
		const std::array< double, 24 > &	normalized_g_values )

staticprivate

Get interpolation points from normalized G array.

Parameters

upper_index	Index of upper grid point.
lower_index	Index of lower grid point.
normalized_g_values	Array of normalized G values.

Returns: InterpolationPoints containing bounds and G values.

◆ make_key()

int gridfire::partition::RauscherThielemannPartitionFunction::make_key	(	int	z,
		int	a )

staticconstexprprivate

Generate integer key for isotope (z,a).

Parameters

z	Atomic number.
a	Mass number (<1000).

Returns: Key computed as z*1000 + a.

◆ supports()

bool gridfire::partition::RauscherThielemannPartitionFunction::supports	(	int	z,
		int	a ) const

overridevirtual

Check if partition data exists for given isotope.

Parameters

z	Atomic number.
a	Mass number.

Returns: true if data available; false otherwise.

Postcondition: No side effects.

Implements gridfire::partition::PartitionFunction.

◆ type()

std::string gridfire::partition::RauscherThielemannPartitionFunction::type ( ) const

inlineoverridevirtual

Get type identifier for this partition function.

Returns: Literal string "RauscherThielemann".

Postcondition: No side effects.

Implements gridfire::partition::PartitionFunction.

Member Data Documentation

◆ m_logger

quill::Logger* gridfire::partition::RauscherThielemannPartitionFunction::m_logger = fourdst::logging::LogManager::getInstance().getLogger("log")

private

◆ m_partitionData

std::unordered_map<int, IsotopeData> gridfire::partition::RauscherThielemannPartitionFunction::m_partitionData

private

Map of isotope key to data.

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

src/include/gridfire/partition/partition_rauscher_thielemann.h
src/lib/partition/partition_rauscher_thielemann.cpp

Classes

Public Member Functions

Private Types

Private Member Functions

Static Private Member Functions

Private Attributes

Detailed Description

Member Enumeration Documentation

◆ Bounds

Constructor & Destructor Documentation

◆ RauscherThielemannPartitionFunction()

Member Function Documentation

◆ clone()

◆ evaluate()

◆ evaluateDerivative()

◆ find()

◆ get_interpolation_points()

◆ make_key()

◆ supports()

◆ type()

Member Data Documentation

◆ m_logger

◆ m_partitionData