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# nm2eV <- function(nm) {
# ## Depends on:
# ## chepec/chetex/common/R/sunlight/solarconstants.R
# # Converts wavelength in nm to energy in eV
# #
# sun.constants <- solar.constants()
#
# eV <-
# sun.constants["h.eV", "value"] *
# 1E9 * sun.constants["c", "value"] / nm
#
# return(eV)
# }
# eV2nm <- function(eV) {
# ## Depends on:
# ## chepec/chetex/common/R/sunlight/solarconstants.R
# # Converts energy in eV to wavelength in nm
# #
# sun.constants <- solar.constants()
#
# nm <-
# sun.constants["h.eV", "value"] *
# 1E9 * sun.constants["c", "value"] / eV
#
# return(nm)
# }
#' Convert wavelength to wavenumber
#'
#' Converts wavelength (nm) to wavenumber (cm-1)
#' Only valid for absolute wavelengths, NOT delta wavelengths (ranges)
#' http://www.powerstream.com/inverse-cm.htm
#'
#' @param wavelength number or vector of numbers
#'
#' @return number or vector
#' @export
wavelength2num <- function(wavelength) {
wavenumber <-
10E6 / wavelength
return(wavenumber)
}
#' Convert wavenumber to wavelength
#'
#' Converts wavenumber (cm-1) to wavelength (nm)
#' Only valid for absolute wavenumbers, NOT delta wavenumbers (ranges)
#' http://www.powerstream.com/inverse-cm.htm
#'
#' @param wavenumber number or vector of numbers
#'
#' @return number or vector
#' @export
wavenum2length <- function(wavenumber) {
wavelength <-
10E6 / wavenumber
return(wavelength)
}
#' Convert Pascal to Torr
#'
#' @param pascal numeric (note: please supply Pa, not kPa)
#'
#' @return torr, numeric
#' @export
pascal2torr <- function(pascal) {
# 1 Pascal == newton per square metre == kg per metre second squared
# 1 Torr == 1/760 atm
# 1 atm == 101325 Pascal
torr <- pascal / 101325 * 760
return(torr)
}
#' Convert Torr to Pascal
#'
#' @param torr numeric
#'
#' @return pascal, numeric (note returns Pa, not kPa)
#' @export
torr2pascal <- function(torr) {
# 1 Pascal == newton per square metre == kg per metre second squared
# 1 Torr == 1/760 atm
# 1 atm == 101325 Pascal
# torr <- pascal / 101325 * 760
pascal <- torr * 101325 / 760
return(pascal)
}
#' Convert from radians to degrees
#'
#' @param radians numeric
#'
#' @return degrees (numeric)
#' @export
as.degrees <- function(radians) {
degrees <- radians * (180 / pi)
return(degrees)
}
#' Convert from degrees to radians
#'
#' @param degrees numeric
#'
#' @return radians (numeric)
#' @export
as.radians <- function(degrees) {
radians <- degrees * (pi / 180)
return(radians)
}
#' Convert from Celsius scale to Kelvin
#'
#' Converts temperature from Celsius to Kelvin.
#'
#' @param Celsius degrees Celsius (numeric)
#'
#' @return Kelvin (numeric)
#' @export
Celsius2Kelvin <- function(Celsius) {
# Check and correct for values below -273.15
if (Celsius < -273.15) {
# If Celsis is less than absolute zero, set it to absolute zero
Celsius <- -273.15
}
Kelvin <- Celsius + 273.15
return(Kelvin)
}
#' Convert from Kelvin to Celsius scale
#'
#' Converts from temperature in Kelvin to degrees Celsius
#'
#' @param Kelvin (numeric)
#'
#' @return degrees Celsius (numeric)
#' @export
Kelvin2Celsius <- function(Kelvin) {
# Check and correct for negative values
if (Kelvin < 0) {
# If Kelvin is less than zero, set it to zero
Kelvin <- 0
}
Celsius <- Kelvin - 273.15
return(Celsius)
}
#' Calculate d-spacings from 2theta values
#'
#' This function applies Bragg's law to calculate d-spacings from thth (n = 1)
#'
#' @param thth vector with thth values in degrees
#' @param wavelength radiation wavelength in Angstrom
#'
#' @return d-spacings (numeric)
#' @export
thth2d <- function(thth, wavelength = 1.540562) {
# Wavelengths:
# Ag-Ka1 wavelength=0.5594075
# Ag-Ka2 wavelength=0.563798
# Ag-Kb1 wavelength=0.497069
# Ag-Kb2 wavelength=0.497685
# Co-Ka1 wavelength=1.788965
# Co-Ka2 wavelength=1.792850
# Co-Kb1 wavelength=1.620790
# Cr-Ka1 wavelength=2.289700
# Cr-Ka2 wavelength=2.293606
# Cr-Kb1 wavelength=2.084870
# Cu-Ka1 wavelength=1.540562
# Cu-Ka2 wavelength=1.544398
# Cu-Kb1 wavelength=1.392218
# Fe-Ka1 wavelength=1.936042
# Fe-Ka2 wavelength=1.939980
# Fe-Kb1 wavelength=1.756610
# Ge-Ka1 wavelength=1.254054
# Ge-Ka2 wavelength=1.258011
# Ge-Kb1 wavelength=1.057300
# Ge-Kb2 wavelength=1.057830
# Mo-Ka1 wavelength=0.709300
# Mo-Ka2 wavelength=0.713590
# Mo-Kb1 wavelength=0.632288
# Mo-Kb2 wavelength=0.632860
# Ni-Ka1 wavelength=1.657910
# Ni-Ka2 wavelength=1.661747
# Ni-Kb1 wavelength=1.500135
# Zn-Ka1 wavelength=1.435155
# Zn-Ka2 wavelength=1.439000
# Zn-Kb1 wavelength=1.295250
return (wavelength / (2 * sin(as.radians(thth))))
}