Bounds

Full name Emily.eQuilibrator.Core.Models.Bounds Assembly Emily.eQuilibrator Members 20

Defines lower and upper bounds on compound concentrations. Used in thermodynamic analysis to constrain metabolite concentrations.

01 Syntax

Emily.eQuilibrator.Core.Models.Bounds

02 Methods

Name	Overloads	Summary
.ctor	1	Creates a new Bounds instance with default values
GetLowerBound	1	Gets the lower bound for a compound
GetUpperBound	1	Gets the upper bound for a compound
GetBounds	1	Gets the bounds for a compound as a tuple
SetLowerBound	1	Sets the lower bound for a compound
SetUpperBound	1	Sets the upper bound for a compound
SetBounds	1	Sets both bounds for a compound
SetBoundsForAll	1	Sets the same bounds for multiple compounds
GetCustomBoundCompounds	1	Gets all compounds with custom bounds
IsWithinBounds	1	Checks if a concentration is within bounds for a compound
GetLogBounds	1	Gets the logarithm of the bounds (useful for thermodynamic calculations)
Clone	1	Creates a copy of this Bounds instance
FromCsv	1	Creates Bounds from a CSV file
ToCsv	1	Saves bounds to a CSV file
GetDefaultCofactorBounds	1	Gets the default bounds for common cofactors
ToString	1

03 Properties

Name	Overloads	Summary
DefaultLowerBound	1	The default lower bound for concentrations (in molar)
DefaultUpperBound	1	The default upper bound for concentrations (in molar)

04 Fields

Name	Overloads	Summary
_lowerBounds	1	Compound-specific lower bounds
_upperBounds	1	Compound-specific upper bounds

05 Members

method .ctor #

#ctor(Double, Double)

Creates a new Bounds instance with default values

Parameters

Name	Type	Description
`defaultLower`	`Double`	Default lower bound in molar
`defaultUpper`	`Double`	Default upper bound in molar

method GetLowerBound #

GetLowerBound(String)

Gets the lower bound for a compound

Parameters

Name	Type	Description
`compoundId`	`String`	The compound identifier

Returns

The lower bound in molar

method GetUpperBound #

GetUpperBound(String)

Gets the upper bound for a compound

Parameters

Name	Type	Description
`compoundId`	`String`	The compound identifier

Returns

The upper bound in molar

method GetBounds #

GetBounds(String)

Gets the bounds for a compound as a tuple

Parameters

Name	Type	Description
`compoundId`	`String`	The compound identifier

Returns

A tuple of (lower, upper) bounds in molar

method SetLowerBound #

SetLowerBound(String, Double)

Sets the lower bound for a compound

Parameters

Name	Type	Description
`compoundId`	`String`	The compound identifier
`bound`	`Double`	The lower bound in molar

method SetUpperBound #

SetUpperBound(String, Double)

Sets the upper bound for a compound

Parameters

Name	Type	Description
`compoundId`	`String`	The compound identifier
`bound`	`Double`	The upper bound in molar

method SetBounds #

SetBounds(String, Double, Double)

Sets both bounds for a compound

Parameters

Name	Type	Description
`compoundId`	`String`	The compound identifier
`lower`	`Double`	The lower bound in molar
`upper`	`Double`	The upper bound in molar

method SetBoundsForAll #

SetBoundsForAll(IEnumerable(Of String), Double, Double)

Sets the same bounds for multiple compounds

Parameters

Name	Type	Description
`compoundIds`	`IEnumerable(Of String)`	The compound identifiers
`lower`	`Double`	The lower bound in molar
`upper`	`Double`	The upper bound in molar

method GetCustomBoundCompounds #

GetCustomBoundCompounds

Gets all compounds with custom bounds

Returns

Set of compound IDs with custom bounds

method IsWithinBounds #

IsWithinBounds(String, Double)

Checks if a concentration is within bounds for a compound

Parameters

Name	Type	Description
`compoundId`	`String`	The compound identifier
`concentration`	`Double`	The concentration to check

Returns

True if the concentration is within bounds

method GetLogBounds #

GetLogBounds(String)

Gets the logarithm of the bounds (useful for thermodynamic calculations)

Parameters

Name	Type	Description
`compoundId`	`String`	The compound identifier

Returns

A tuple of (ln(lower), ln(upper))

method Clone #

Clone

Creates a copy of this Bounds instance

Returns

A new Bounds instance with the same values

method FromCsv #

FromCsv(String)

Creates Bounds from a CSV file

Parameters

Name	Type	Description
`filePath`	`String`	Path to the CSV file

Returns

A new Bounds instance

method ToCsv #

ToCsv(String, IEnumerable(Of String))

Saves bounds to a CSV file

Parameters

Name	Type	Description
`filePath`	`String`	Path to the CSV file
`compoundIds`	`IEnumerable(Of String)`	Compound IDs to include

method GetDefaultCofactorBounds #

GetDefaultCofactorBounds

Gets the default bounds for common cofactors

Returns

A Bounds instance with cofactor-specific bounds

property DefaultLowerBound #

DefaultLowerBound

The default lower bound for concentrations (in molar)

property DefaultUpperBound #

DefaultUpperBound

The default upper bound for concentrations (in molar)

field _lowerBounds #

_lowerBounds

Compound-specific lower bounds

field _upperBounds #

_upperBounds

Compound-specific upper bounds

method ToString #

ToString()