Coerce to a solute spectrum

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)

• as.solute_spct(default):

• as.solute_spct(filter_spct):

See also

setSoluteSpct

Other constructors of spectral objects: as.calibration_spct(), as.chroma_spct(), as.cps_spct(), as.filter_spct(), as.generic_spct(), as.object_spct(), as.raw_spct(), as.reflector_spct(), as.response_spct(), as.source_spct(), source_spct()