getMoleculeNameFromQuantity: Get the name of the molecule from a quantity

In esqLABS/esqlabsR: esqLABS utilities package

Get the name of the molecule from a quantity

Description

Returns the name of the molecule to which the quantity object is associated. The quantity could be the amount of the molecule in a container ('Organism|VenousBlood|Plasma|Aciclovir'), a parameter of the molecule ('Aciclovir|Lipophilicity' or 'Organism|VenousBlood|Plasma|Aciclovir|Concentration'), or an observer ("Organism|PeripheralVenousBlood|Aciclovir|Plasma (Peripheral Venous Blood)").

If the quantity is not associated with a molecule (e.g. 'Organism|Weight'), an error is thrown.

Usage

getMoleculeNameFromQuantity(quantity)

Arguments

quantity

A Quantity object

Value

Name of the molecule the quantity is associated with.

Examples

simulation <- loadSimulation(system.file("extdata", "Aciclovir.pkml", package = "ospsuite"))
quantity <- getQuantity(
  path = "Organism|PeripheralVenousBlood|Aciclovir|Plasma (Peripheral Venous Blood)",
  container = simulation
)
getMoleculeNameFromQuantity(quantity = quantity)

esqLABS/esqlabsR documentation built on April 17, 2025, 10:51 a.m.