R/atomicMass.R

In increasechief/chromastar: Pedagogical Stellar Atmposhere and Spectrum Modelling of Stars

## MIT License
##
## Copyright (c) 2018 Oliver Dechant
##
## Permission is hereby granted, free of charge, to any person obtaining a copy
## of this software and associated documentation files (the "Software"), to deal
## in the Software without restriction, including without limitation the rights
## to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
## copies of the Software, and to permit persons to whom the Software is
## furnished to do so, subject to the following conditions
##
## The above copyright notice and this permission notice shall be included in all
## copies or substantial portions of the Software.
##
## THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
## IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
## FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
## AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
## LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
## OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
## SOFTWARE.

getMass <- function(elName) {

 elMass <- 1.0  #default initialization

    if ("H" == elName)
       elMass <- 1.007
        
    if ("He" == elName)
       elMass <- 4.002
   
    if ("Li" == elName)
       elMass <- 6.938
 
    if ("Be" == elName)
       elMass <- 9.012
 
    if ("B" == elName)
       elMass <- 10.806
   
    if ("C" == elName)
       elMass <- 12.0096
   
    if ("N" == elName)
       elMass <- 14.006
 
    if ("O" == elName)
       elMass <- 15.999
 
    if ("F" == elName)
       elMass <- 18.998
 
    if ("Ne" == elName)
       elMass <- 20.1797
 
    if ("Na" == elName)
       elMass <- 22.989
 
    if ("Mg" == elName)
       elMass <- 24.304
 
    if ("Al" == elName)
       elMass <- 26.981
 
    if ("Si" == elName)
       elMass <- 28.084
 
    if ("P" == elName)
       elMass <- 30.973
 
    if ("S" == elName)
       elMass <- 32.059
 
    if ("Cl" == elName)
       elMass <- 35.446
 
    if ("Ar" == elName)
       elMass <- 39.948
 
    if ("K" == elName)
       elMass <- 39.0983
 
    if ("Ca" == elName)
       elMass <- 40.078
 
    if ("Sc" == elName)
       elMass <- 44.955
 
    if ("Ti" == elName)
       elMass <- 47.867
 
    if ("Va" == elName)
       elMass <- 50.9415
 
    if ("Cr" == elName)
       elMass <- 51.9961
 
    if ("Mn" == elName)
       elMass <- 54.938
 
    if ("Fe" == elName)
       elMass <- 55.845
 
    if ("Co" == elName)
       elMass <- 58.933
 
    if ("Ni" == elName)
       elMass <- 58.6934
 
    if ("Cu" == elName)
       elMass <- 63.546
 
    if ("Zn" == elName)
       elMass <- 65.38
 
    if ("Ga" == elName)
       elMass <- 69.723
 
    if ("Ge" == elName)
       elMass <- 72.630
 
    if ("As" == elName)
       elMass <- 74.921
 
    if ("Se" == elName)
       elMass <- 78.971
 
    if ("Br" == elName)
       elMass <- 79.901
 
    if ("Kr" == elName)
       elMass <- 83.798
 
    if ("Rb" == elName)
       elMass <- 85.4678
 
    if ("Sr" == elName)
       elMass <- 87.62
 
    if ("Y" == elName)
       elMass <- 88.905
 
    if ("Zr" == elName)
       elMass <- 91.224
 
    if ("Nb" == elName)
       elMass <- 92.906
 
    if ("Mo" == elName)
       elMass <- 95.95
 
    if ("Ru" == elName)
       elMass <- 101.07
 
    if ("Rh" == elName)
       elMass <- 102.905
 
    if ("Pd" == elName)
       elMass <- 106.42
 
    if ("Ag" == elName)
       elMass <- 107.8682
 
    if ("Cd" == elName)
       elMass <- 112.414
 
    if ("In" == elName)
       elMass <- 114.818
 
    if ("Sn" == elName)
       elMass <- 118.710
 
    if ("Sb" == elName)
       elMass <- 121.760
 
    if ("Te" == elName)
       elMass <- 127.60
 
    if ("I" == elName)
       elMass <- 126.904
 
    if ("Xe" == elName)
       elMass <- 131.293
 
    if ("Cs" == elName)
       elMass <- 132.905
 
    if ("Ba" == elName)
       elMass <- 137.327
 
    if ("La" == elName)
       elMass <- 138.905
 
    elMass 
}

getMolMass <- function(molName) {

    molMass <- 2.0  #default initialization (H_2)

    if ("TiO" == molName)
       molMass <- getMass("O") + getMass("Ti")
   
    molMass 
}