Container for elemental concentration data of a single sediment sample. More...

#include <elemental_profile.h>

Inheritance diagram for Elemental_Profile:

Collaboration diagram for Elemental_Profile:

Public Member Functions
	Elemental_Profile ()
	Default constructor - creates empty profile.

	Elemental_Profile (const Elemental_Profile &other)
	Copy constructor - deep copy of profile.

Elemental_Profile &	operator= (const Elemental_Profile &other)
	Copy assignment operator.

double	GetValue (const string &name) const
	Get element concentration by name.

bool	SetValue (const string &name, double val)
	Set concentration value for existing element.

bool	AppendElement (const string &name, double val=0.0)
	Add new element to profile.

bool	Contains (const string &name) const
	Check if element exists in profile.

vector< double >	GetAllValues () const
	Get all concentration values as vector.

vector< string >	GetElementNames () const
	Get list of all element names.

bool	SetMarked (const string &name, bool marked)
	Set marked status for an element.

bool	IsMarked (const string &name) const
	Check if element is marked.

double	GetMinimum () const
	Get minimum concentration value.

double	GetMaximum () const
	Get maximum concentration value.

double	CalculateDotProduct (const CMBVector &weights) const
	Calculate dot product with weight vector.

CMBVector	SortByConcentration (bool ascending=true) const
	Sort elements by concentration value.

vector< string >	SelectTopElements (int n, bool ascending=true) const
	Select top N elements by concentration.

Elemental_Profile	CreateAnalysisProfile (const map< string, element_information > *elementinfo=nullptr) const
	Create profile with only analyzed elements.

Elemental_Profile	ExtractChemicalElements (const map< string, element_information > *elementinfo, bool include_isotopes=false) const
	Extract chemical elements only (exclude isotopes, metadata)

Elemental_Profile	ExtractElements (const vector< string > &element_names) const
	Extract subset of specified elements.

Elemental_Profile	ApplyOrganicMatterAndSizeCorrections (const vector< double > &reference_om_size, const MultipleLinearRegressionSet regression_models, const map< string, element_information > elementinfo=nullptr) const
	Apply organic matter and particle size corrections.

Elemental_Profile	CreateCorrectedProfile (bool exclude_elements, bool apply_corrections, const vector< double > &reference_om_size, const MultipleLinearRegressionSet regression_models=nullptr, const map< string, element_information > elementinfo=nullptr) const
	Create corrected profile with filtering and corrections.

bool	IsIncludedInAnalysis () const
	Check if profile is included in analysis.

void	SetIncludedInAnalysis (bool included)
	Set analysis inclusion status.

string	ToString () const override
	Convert profile to string representation.

QTableWidget *	ToTable () override
	Create Qt table widget representation.

std::unique_ptr< QTableWidget >	CreateTableUnique () const
	Create table widget with automatic memory management.

bool	writetofile (QFile *file) override
	Write profile to file.

bool	Read (const QStringList &string_list) override
	Read profile from string list.

QJsonObject	toJsonObject () const override
	Serialize to JSON object.

bool	ReadFromJsonObject (const QJsonObject &json) override
	Deserialize from JSON object.

Public Member Functions inherited from Interface
	Interface ()
	Default constructor.

	Interface (const Interface &intf)
	Copy constructor.

Interface &	operator= (const Interface &intf)
	Assignment operator.

string	GetNotes () const
	Get the notes/annotations associated with this object.

void	SetNotes (const string &note)
	Set the notes for this object, replacing any existing notes.

void	AppendtoNotes (const string &note)
	Append a note to existing notes.

void	ClearNotes ()
	Clear all notes associated with this object.

void	SetLimit (_range lowhigh, const double &value)
	Set upper or lower limit for value highlighting.

void	SetOption (options_key opt, bool val)
	Set a configuration option.

bool	Option (options_key opt)
	Get the current value of a configuration option.

options &	GetOptions ()
	Get reference to the options structure.

QString	XAxisLabel () const
	Get the X-axis label.

QString	YAxisLabel () const
	Get the Y-axis label.

bool	SetXAxisLabel (const QString &label)
	Set the X-axis label.

bool	SetYAxisLabel (const QString &label)
	Set the Y-axis label.

Private Attributes
bool	included_in_analysis_ = true
	Whether profile should be included in analysis.

map< string, bool >	marked_elements_
	Map tracking marked elements for quality control.

Additional Inherited Members
Public Attributes inherited from Interface
double	lowlimit
	Lower threshold for value highlighting (when enabled)

double	highlimit
	Upper threshold for value highlighting (when enabled)

bool	highlightoutsideoflimit = false
	Flag indicating whether to highlight values outside defined limits.

Detailed Description

Container for elemental concentration data of a single sediment sample.

Stores and manipulates elemental concentration data ("fingerprint") for one sediment sample. Inherits from std::map<string,double> to provide map-like access where keys are element names and values are concentrations.

Key capabilities:

Storage of element concentrations (ppm, %, or other units)
Quality control marking system for flagging outliers
Statistical operations (sorting, ranking, dot products)
Correction algorithms (organic matter, particle size effects)
Multiple export formats (JSON, table, text)
Subsetting and filtering operations

Usage Example

// Create profile for a sediment sample
Elemental_Profile sample;
sample.AppendElement("Al", 8.5);   // 8.5% aluminum
sample.AppendElement("Fe", 4.2);   // 4.2% iron
sample.AppendElement("Pb", 25.3);  // 25.3 ppm lead
 
// Check element existence and retrieve value
if (sample.Contains("Al")) {
    double al = sample.GetValue("Al");
}
 
// Flag suspicious value
sample.SetMarked("Pb", true);
 
// Extract subset
vector<string> metals = {"Fe", "Pb", "Cu", "Zn"};
Elemental_Profile metals_only = sample.ExtractElements(metals);

Note: Thread Safety: This class is NOT thread-safe. External synchronization required for concurrent access.; Future versions will replace public inheritance with composition to avoid issues with std::map's non-virtual destructor.

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 113 of file elemental_profile.h.

Constructor & Destructor Documentation

◆ Elemental_Profile() [1/2]

Elemental_Profile::Elemental_Profile ( )

Default constructor - creates empty profile.

Default constructor - creates empty elemental profile.

Postcondition: Profile is empty (size() == 0); Profile included in analysis (IsIncludedInAnalysis() == true)

Initializes an empty profile with no elements.The profile is marked as included in analysis by default.

Postcondition: size() == 0; IsIncludedInAnalysis() == true; No elements are marked

Note: Uses member initializer list for efficiency

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 30 of file elemental_profile.cpp.

References string.

Referenced by ExtractChemicalElements().

◆ Elemental_Profile() [2/2]

Elemental_Profile::Elemental_Profile ( const Elemental_Profile & other )

Copy constructor - deep copy of profile.

Copy constructor - creates deep copy of profile.

Parameters

other Profile to copy

Postcondition: *this is independent copy of other

Creates an independent copy of another profile, including all element concentrations, marked status flags, and analysis inclusion setting.

Parameters

other Profile to copy from

Postcondition: *this contains all data from other; size() == other.size(); IsIncludedInAnalysis() == other.IsIncludedInAnalysis(); Modifications to *this do not affect other

Note: Copy constructor calls base class copy constructors first, then copies member variables

Definition at line 57 of file elemental_profile.cpp.

References string.

Member Function Documentation

◆ AppendElement()

bool Elemental_Profile::AppendElement	(	const string &	element_name,
		double	value = `0.0`
	)

Add new element to profile.

Parameters

name	Element name (must be unique)
val	Initial concentration (default: 0.0)

Returns: true if added, false if element already exists

Precondition: Element must not exist: Contains(name) == false

Postcondition: If successful: Contains(name) == true && GetValue(name) == val; If successful: IsMarked(name) == false

Warning: Logs error to console if element already exists

Adds a new element with its concentration to the profile. The element must not already exist. Use SetValue() to update existing elements.

Parameters

element_name	Name of the element (must be unique)
value	Initial concentration value (default: 0.0)

Returns: true if added successfully, false if element already exists

Postcondition: If successful: Contains(element_name) == true; If successful: GetValue(element_name) == value; If successful: IsMarked(element_name) == false

Note: To update existing elements, use SetValue() instead

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 552 of file elemental_profile.cpp.

References marked_elements_.

◆ ApplyOrganicMatterAndSizeCorrections()

Elemental_Profile Elemental_Profile::ApplyOrganicMatterAndSizeCorrections	(	const vector< double > &	reference_om_size,
		const MultipleLinearRegressionSet *	regression_models,
		const map< string, element_information > *	element_info = `nullptr`
	)		const

Apply organic matter and particle size corrections.

Corrects element concentrations for organic matter content and particle size effects using multiple linear regression models. Critical for ensuring differences reflect source variation rather than sample characteristics.

Parameters

reference_om_size	Vector: [organic_matter_%, mean_particle_size_um]
regression_models	MLR models: element_name -> MLR(OM, size)
elementinfo	Element metadata to identify OM and size elements

Returns: New profile with corrected concentrations

For each element with a regression model:

Linear: C_corrected = C + (OM_ref - OM)*beta1 + (size_ref - size)*beta2
Power: C_corrected = C * (OM_ref/OM)^beta1 * (size_ref/size)^beta2

Warning: Negative corrected values indicate problems with correction model

Note: Reference: Collins & Walling (2002) - Selecting fingerprint properties for discriminating sediment sources. J. Hydrology, 261, 218-244.

Corrects element concentrations for organic matter content and particle size effects using multiple linear regression models. Critical for ensuring differences reflect source variation rather than sample characteristics.

Parameters

reference_om_size	Vector: [organic_matter_%, mean_particle_size_um]
regression_models	MLR models: element_name -> MLR(OM, size)
element_info	Element metadata to identify OM and size elements

Returns: New profile with corrected concentrations

Note: Organic carbon and particle size elements are excluded from output

Warning: Negative corrected values indicate problems with correction model

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 878 of file elemental_profile.cpp.

References element_information::isotope, linear, mlr, element_information::organic_carbon, element_information::particle_size, and element_information::Role.

Referenced by Elemental_Profile_Set::ApplyOrganicMatterAndSizeCorrections(), and CreateCorrectedProfile().

◆ CalculateDotProduct()

double Elemental_Profile::CalculateDotProduct ( const CMBVector & weights ) const

Calculate dot product with weight vector.

Computes sum(concentration[i] * weights[i]) for all elements. Used in chemical mass balance and discriminant analysis.

Parameters

weights Weight vector (must match profile size)

Returns: Dot product value

Warning: Returns -999 if size mismatch (should throw exception)

Note: Used in fingerprinting source contribution calculations

Computes sum(concentration[i] * weights[i]) for all elements. Used in chemical mass balance and discriminant analysis calculations.

Parameters

weights Weight vector (must match profile size)

Returns: Dot product value, or -999 if size mismatch

Warning: Returns -999 for size mismatch (should throw exception instead)

Note: Element order matches map iterator order (alphabetical)

Todo:: Replace magic number with exception for size mismatch

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 959 of file elemental_profile.cpp.

◆ Contains()

bool Elemental_Profile::Contains ( const string & element_name ) const

Check if element exists in profile.

Parameters

name	Element name to check

Returns: true if element exists, false otherwise

Parameters

element_name Name of element to check

Returns: true if element exists, false otherwise

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 857 of file elemental_profile.cpp.

◆ CreateAnalysisProfile()

Elemental_Profile Elemental_Profile::CreateAnalysisProfile ( const map< string, element_information > * elementinfo = nullptr ) const

Create profile with only analyzed elements.

Filters based on element_information metadata, excluding:

Elements with include_in_analysis = false
Elements with role = do_not_include
Particle size indicators
Organic carbon measures

Parameters

elementinfo Element metadata (nullptr includes all)

Returns: New filtered profile

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 145 of file elemental_profile.cpp.

References element_information::do_not_include, element_information::include_in_analysis, included_in_analysis_, marked_elements_, element_information::organic_carbon, element_information::particle_size, and element_information::Role.

Referenced by Elemental_Profile_Set::AppendProfile(), and CreateCorrectedProfile().

◆ CreateCorrectedProfile()

Elemental_Profile Elemental_Profile::CreateCorrectedProfile	(	bool	exclude_elements,
		bool	apply_corrections,
		const vector< double > &	reference_om_size,
		const MultipleLinearRegressionSet *	regression_models = `nullptr`,
		const map< string, element_information > *	elementinfo = `nullptr`
	)		const

Create corrected profile with filtering and corrections.

Comprehensive transformation combining element filtering and corrections.

Parameters

exclude_elements	If true, apply element_information filters
apply_corrections	If true, apply OM/size corrections
reference_om_size	Reference [OM%, size] for corrections
regression_models	MLR models for corrections
elementinfo	Element metadata for filtering

Returns: New corrected and filtered profile

Note: Consider using separate operations for clarity

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 240 of file elemental_profile.cpp.

References ApplyOrganicMatterAndSizeCorrections(), and CreateAnalysisProfile().

◆ CreateTableUnique()

std::unique_ptr< QTableWidget > Elemental_Profile::CreateTableUnique ( ) const

Create table widget with automatic memory management.

Returns: std::unique_ptr to QTableWidget

Note: Preferred over CreateTable() for automatic cleanup

◆ ExtractChemicalElements()

Elemental_Profile Elemental_Profile::ExtractChemicalElements	(	const map< string, element_information > *	elementinfo,
		bool	include_isotopes = `false`
	)		const

Extract chemical elements only (exclude isotopes, metadata)

Parameters

elementinfo	Element metadata for role classification
include_isotopes	true to include isotopes, false to exclude

Returns: Profile with only element/isotope data

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 330 of file elemental_profile.cpp.

References Elemental_Profile(), element_information::element, element_information::isotope, and element_information::Role.

◆ ExtractElements()

Elemental_Profile Elemental_Profile::ExtractElements ( const vector< string > & element_names ) const

Extract subset of specified elements.

Parameters

element_names Elements to extract

Returns: New profile with requested elements

Note: Elements not in profile are silently skipped

Postcondition: Return size <= element_names.size()

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 421 of file elemental_profile.cpp.

◆ GetAllValues()

vector< double > Elemental_Profile::GetAllValues ( ) const

Get all concentration values as vector.

Get all concentration values as a vector.

Returns: Vector of all concentration values in map order

Note: Order matches iterator order (typically alphabetical)

Extracts all concentration values in map order (typically alphabetical by element name). Element names are not included - use GetElementNames() to get corresponding names.

Returns: Vector of all concentration values

Note: Order matches iterator order of underlying map; To get element names in same order, use GetElementNames()

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 575 of file elemental_profile.cpp.

◆ GetElementNames()

vector< string > Elemental_Profile::GetElementNames ( ) const

Get list of all element names.

Returns: Vector of element names in map order; Vector of element names in map order (typically alphabetical)

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 839 of file elemental_profile.cpp.

Referenced by Conductor::ExecuteAutoSelect(), and GeneralChart::PlotPredictedConcentration().

◆ GetMaximum()

double Elemental_Profile::GetMaximum ( ) const

Get maximum concentration value.

Returns: Maximum concentration across all elements

Exceptions

std::logic_error if profile is empty (after refactoring)

Warning: Current implementation returns -1e12 if empty (should be fixed)

Returns: Maximum concentration across all elements; -1e12 if profile is empty (should be fixed to throw exception)

Note: Returns arbitrary minimum if profile is empty

Todo:: Consider throwing std::logic_error if empty

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 793 of file elemental_profile.cpp.

Referenced by GeneralChart::PlotPredictedConcentration().

◆ GetMinimum()

double Elemental_Profile::GetMinimum ( ) const

Get minimum concentration value.

Returns: Minimum concentration across all elements

Exceptions

std::logic_error if profile is empty (after refactoring)

Warning: Current implementation returns 1e12 if empty (should be fixed)

Returns: Minimum concentration across all elements; 1e12 if profile is empty (should be fixed to throw exception)

Note: Returns arbitrary maximum if profile is empty

Todo:: Consider throwing std::logic_error if empty

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 818 of file elemental_profile.cpp.

Referenced by GeneralChart::PlotPredictedConcentration().

◆ GetValue()

double Elemental_Profile::GetValue ( const string & element_name ) const

Get element concentration by name.

Parameters

name	Element name (e.g., "Al", "Fe", "206Pb/207Pb")

Returns: Concentration value, or -1 if element not found

Warning: Returns -1 for missing elements. Use Contains() to check first, or consider using at() which throws on missing elements.; Logs error to console if element not found (not ideal for library)

Note: Prefer: if (Contains(name)) { double v = GetValue(name); }

See also: Contains() to check existence; SetValue() to modify value

Parameters

element_name Name of the element

Returns: Element concentration

Exceptions

std::out_of_range if element does not exist

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 450 of file elemental_profile.cpp.

Referenced by SourceSinkData::InitializeParametersAndObservations(), SourceSinkData::ObservedDataforSelectedSample(), SourceSinkData::ObservedDataforSelectedSample_Isotope(), and SourceSinkData::ObservedDataforSelectedSample_Isotope_delta().

◆ IsIncludedInAnalysis()

bool Elemental_Profile::IsIncludedInAnalysis ( ) const

inline

Check if profile is included in analysis.

Returns: true if profile should be included in fingerprinting

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 399 of file elemental_profile.h.

References included_in_analysis_.

Referenced by SelectSampleTableModel::data(), and toJsonObject().

◆ IsMarked()

bool Elemental_Profile::IsMarked ( const string & element_name ) const

Check if element is marked.

Parameters

name	Element name

Returns: true if marked, false if unmarked or doesn't exist

Warning: Returns false for both unmarked AND non-existent elements

Parameters

element_name Name of the element

Returns: true if marked, false if unmarked or doesn't exist

Note: Returns false for both unmarked elements and non-existent elements

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 525 of file elemental_profile.cpp.

References marked_elements_.

◆ operator=()

Elemental_Profile & Elemental_Profile::operator= ( const Elemental_Profile & other )

Copy assignment operator.

Parameters

other Profile to assign from

Returns: Reference to *this

Postcondition: *this contains copy of other's data

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 83 of file elemental_profile.cpp.

References included_in_analysis_, marked_elements_, and Interface::operator=().

◆ Read()

bool Elemental_Profile::Read ( const QStringList & string_list )

overridevirtual

Read profile from string list.

Parameters

string_list List of "Element:Value" strings

Returns: true on success

Reimplemented from Interface.

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 753 of file elemental_profile.cpp.

References AppendElement().

◆ ReadFromJsonObject()

bool Elemental_Profile::ReadFromJsonObject ( const QJsonObject & json_object )

overridevirtual

Deserialize from JSON object.

Deserialize profile from JSON object.

Parameters

json	JSON representation

Returns: true on success

Postcondition: Profile cleared and repopulated from JSON

Loads profile data from JSON, supporting two formats:

Full format with "Include" and "Element Contents" fields
Legacy format with elements directly in root object

Parameters

json_object JSON representation of profile

Returns: true on success (always succeeds currently)

Postcondition: Profile is cleared and repopulated from JSON; Marked elements are reset (not stored in JSON)

Note: Bug fixed: YAxisLabel was being set to XAxisLabel value

Reimplemented from Interface.

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 707 of file elemental_profile.cpp.

References SetIncludedInAnalysis(), Interface::SetXAxisLabel(), and Interface::SetYAxisLabel().

Referenced by Results::ReadFromJson(), and Elemental_Profile_Set::ReadFromJsonObject().

◆ SelectTopElements()

vector< string > Elemental_Profile::SelectTopElements	(	int	n,
		bool	ascending = `true`
	)		const

Select top N elements by concentration.

Identifies highest (or lowest) concentrated elements. Useful for focusing analysis on dominant tracers.

Parameters

n	Number of elements to select
ascending	true to select lowest, false for highest

Returns: Vector of element names

Postcondition: Return size <= min(n, profile.size())

Returns the N highest (or lowest) concentrated elements. Useful for focusing analysis on dominant tracers.

Parameters

n	Number of elements to select
ascending	true to select lowest values, false for highest

Returns: Vector of element names (up to N elements)

Postcondition: Return size <= min(n, profile.size())

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 1032 of file elemental_profile.cpp.

References CMBVector::Label(), and SortByConcentration().

◆ SetIncludedInAnalysis()

void Elemental_Profile::SetIncludedInAnalysis ( bool included )

inline

Set analysis inclusion status.

Parameters

included true to include, false to exclude

Note: Excluded profiles retained in dataset but skipped in calculations

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 406 of file elemental_profile.h.

References included_in_analysis_.

Referenced by ReadFromJsonObject(), and SelectSampleTableModel::setData().

◆ SetMarked()

bool Elemental_Profile::SetMarked	(	const string &	element_name,
		bool	marked
	)

Set marked status for an element.

Marking system allows flagging suspicious values without removing them. Marked elements can be filtered in downstream analyses.

Parameters

name	Element name
marked	true to mark, false to unmark

Returns: true if successful, false if element doesn't exist

Precondition: Element must exist

Postcondition: If successful: IsMarked(name) == marked

Marks or unmarks an element for quality control purposes. Marked elements can be filtered in downstream analyses without removing them from the profile.

Parameters

element_name	Name of the element
marked	true to mark, false to unmark

Returns: true if successful, false if element doesn't exist

Note: Element must exist in profile before it can be marked

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 507 of file elemental_profile.cpp.

References marked_elements_.

◆ SetValue()

bool Elemental_Profile::SetValue	(	const string &	name,
		double	val
	)

Set concentration value for existing element.

Parameters

name	Element name (must already exist)
val	New concentration value

Returns: true if successful, false if element doesn't exist

Precondition: Element must exist: Contains(name) == true

Postcondition: If successful: GetValue(name) == val

Warning: Logs error to console if element not found

See also: AppendElement() to add new elements

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 484 of file elemental_profile.cpp.

◆ SortByConcentration()

CMBVector Elemental_Profile::SortByConcentration ( bool ascending = true ) const

Sort elements by concentration value.

Parameters

ascending true for ascending order, false for descending

Returns: CMBVector with sorted element names and values

Note: Returns new object; original profile unchanged

Creates a CMBVector containing elements sorted by their concentration. Uses selection sort algorithm (O(n�) - consider std::sort for large profiles).

Parameters

ascending true for ascending order (low to high), false for descending

Returns: CMBVector with sorted element names and values

Note: Original profile unchanged (const method); Performance: O(n�) - fine for typical profile sizes (<100 elements)

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 988 of file elemental_profile.cpp.

References CMBVector::append().

Referenced by SelectTopElements().

◆ toJsonObject()

QJsonObject Elemental_Profile::toJsonObject ( ) const

overridevirtual

Serialize to JSON object.

Serialize profile to JSON object.

Returns: QJsonObject containing profile data

Creates a JSON representation including element concentrations, analysis inclusion flag, and axis labels.

Returns: QJsonObject containing profile data

Note: Format: {"Include": bool, "Element Contents": {name: value, ...}, "XAxisLabel": string, "YAxisLabel": string}

Reimplemented from Interface.

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 674 of file elemental_profile.cpp.

References IsIncludedInAnalysis(), Interface::XAxisLabel(), and Interface::YAxisLabel().

◆ ToString()

string Elemental_Profile::ToString ( ) const

overridevirtual

Convert profile to string representation.

Returns: String with "Element:Value" pairs separated by newlines

Note: Format: "Al:8.5\nFe:4.2\n..."

Reimplemented from Interface.

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 599 of file elemental_profile.cpp.

Referenced by writetofile().

◆ ToTable()

QTableWidget * Elemental_Profile::ToTable ( )

overridevirtual

Create Qt table widget representation.

Returns: Pointer to new QTableWidget

Warning: CALLER TAKES OWNERSHIP - must delete or set Qt parent

Note: Consider using CreateTableUnique() for automatic memory management

See also: CreateTableUnique() for smart pointer version

Reimplemented from Interface.

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 632 of file elemental_profile.cpp.

References Interface::highlightoutsideoflimit, Interface::highlimit, Interface::lowlimit, and Interface::YAxisLabel().

◆ writetofile()

bool Elemental_Profile::writetofile ( QFile * file )

overridevirtual

Write profile to file.

Parameters

file	Open QFile for writing

Returns: true on success

Writes the string representation of the profile to an open file.

Parameters

file	Pointer to open QFile for writing

Returns: true on success (always succeeds currently)

Note: File must be opened for writing before calling this method; Writes in "Element:Value\n" format for each element

Reimplemented from Interface.

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 778 of file elemental_profile.cpp.

References ToString().

Member Data Documentation

◆ included_in_analysis_

bool Elemental_Profile::included_in_analysis_ = true

private

Whether profile should be included in analysis.

Used for quality control - allows excluding problematic samples without deleting them from dataset.

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 476 of file elemental_profile.h.

Referenced by CreateAnalysisProfile(), IsIncludedInAnalysis(), operator=(), and SetIncludedInAnalysis().

◆ marked_elements_

map<string, bool> Elemental_Profile::marked_elements_

private

Map tracking marked elements for quality control.

Elements can be flagged as outliers or requiring attention without removing them from the profile.

Examples: /home/runner/work/SedSat3/SedSat3/src/elemental_profile.cpp.

Definition at line 484 of file elemental_profile.h.

Referenced by AppendElement(), CreateAnalysisProfile(), IsMarked(), operator=(), and SetMarked().

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

Public Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Usage Example

Constructor & Destructor Documentation

◆ Elemental_Profile() [1/2]

◆ Elemental_Profile() [2/2]

Member Function Documentation

◆ AppendElement()

◆ ApplyOrganicMatterAndSizeCorrections()

◆ CalculateDotProduct()

◆ Contains()

◆ CreateAnalysisProfile()

◆ CreateCorrectedProfile()

◆ CreateTableUnique()

◆ ExtractChemicalElements()

◆ ExtractElements()

◆ GetAllValues()

◆ GetElementNames()

◆ GetMaximum()

◆ GetMinimum()

◆ GetValue()

◆ IsIncludedInAnalysis()

◆ IsMarked()

◆ operator=()

◆ Read()

◆ ReadFromJsonObject()

◆ SelectTopElements()

◆ SetIncludedInAnalysis()

◆ SetMarked()

◆ SetValue()

◆ SortByConcentration()

◆ toJsonObject()

◆ ToString()

◆ ToTable()

◆ writetofile()

Member Data Documentation

◆ included_in_analysis_

◆ marked_elements_