R: Coerce to a solute spectrum

as.solute_spct {photobiology}

R Documentation

Coerce to a solute spectrum

Description

Return a possibly modified copy of an R object with its class set to solute_spct (a solute spectrum). In the case of conversion from a filter_spct object, compute spectral molar attenuation based on additional input from user.

Usage

as.solute_spct(x, ...)

## Default S3 method:
as.solute_spct(
  x,
  K.type = c("attenuation", "absorption", "scattering"),
  strict.range = getOption("photobiology.strict.range", default = FALSE),
  ...
)

## S3 method for class 'filter_spct'
as.solute_spct(
  x,
  K.type = c("attenuation", "absorption", "scattering"),
  name = NA_character_,
  mass = NA_character_,
  formula = NULL,
  structure = grDevices::as.raster(matrix()),
  ID = NA_character_,
  solvent.name = NA_character_,
  solvent.ID = NA_character_,
  strict.range = getOption("photobiology.strict.range", default = FALSE),
  comment = NULL,
  molar.concentration = NULL,
  mass.concentration = NULL,
  path.length = 1,
  ...
)

Arguments

`x`	an R object.
`...`	other arguments passed to "set" functions.
`K.type`	a character string, one of `"attenuation"`, `"absorption"` or `"scattering"`.
`strict.range`	logical Flag indicating whether off-range values result in an error instead of a warning.
`name`, `solvent.name`	character The names of the substance and of the solvent. A named character vector, with member names such as "IUPAC" for the authority.
`mass`	numeric The mass in Dalton (Da = g/mol).
`formula`	character The molecular formula.
`structure`	raster A bitmap of the structure.
`ID`, `solvent.ID`	character The IDs of the substance and of the solvent. A named character vector, with member names such as "ChemSpider" or "PubChen" for the authority.
`comment`	character A string to be added as a comment attribute to the object created. If not supplied, the comment will be copied from `x`.
`molar.concentration`, `mass.concentration`	numeric Concentration to be used to compute transmittance of the solute in solution [`mol\,m^{-3} = mmol\,dm^{-3}` or `kg\,m^{-3} = g\,dm^{-3}`, respectively].
`path.length`	numeric The length of the light path (`m`) used to compute transmittance of the solute in a solution.

Value

A copy of x converted into a solute_spct object.

Methods (by class)