Ms: Tindle method

Recalculation to 22 ox with F,Cl correction. Li2O and H2O calculations after Tindle and Webb, 1990.

recalc.ms_tindle <- function (wtp_data, ...)
{

base_names <- c('SiO2_wtp','TiO2_wtp','Al2O3_wtp','FeO_wtp','MnO_wtp','MgO_wtp','CaO_wtp','Na2O_wtp','K2O_wtp',
               'SrO_wtp','BaO_wtp','Rb2O_wtp','Cs2O_wtp','ZnO_wtp','SnO2_wtp','Ga2O3_wtp',
               'F_wtp','Cl_wtp','Cr2O3_wtp','NiO_wtp','CuO_wtp');

data <- selectNames(wtp_data,base_names);

step1_coeff <- c(30.045,39.95,33.9867,71.85,70.94,40.31,56.08,61.98,94.22,
             103.62,153.36,186.936,281.811,81.38,75.345,62.48,
             19,35.45,50.6667,74.7,79.55);

step1_data <- rowApply(`/`, data, step1_coeff);
step1_sum <- rowSums(step1_data);
F_Cl_corr <- step1_sum - step1_data$F_wtp - step1_data$Cl_wtp;
Ox_Num <- 22/F_Cl_corr;

step2_data <- rowApply(`*`, step1_data, Ox_Num);

pfu_names <- c('Si_pfu','Ti_pfu','Al_pfu','Fe_pfu','Mn_pfu','Mg_pfu','Ca_pfu','Na_pfu','K_pfu',
               'Sr_pfu','Ba_pfu','Rb_pfu','Cs_pfu','Zn_pfu','Sn_pfu','Ga_pfu',
               'F_pfu','Cl_pfu','Cr_pfu','Ni_pfu','Cu_pfu');

ox_norm <- c( 1/2,1/2,2/3,1/1,1/1,1/1,1/1,2/1,2/1,
              1/1,1/1,2/1,2/1,1/1,1/2,2/3,
              1,1,2/3,1/1,1/1);

step3_data <-  rowApply(`*`, step2_data, ox_norm) ;
names(step3_data) <- pfu_names;
step3_data$Name <- wtp_data$Name;

step3_data$Al_c4_pfu <- ifelse((step2_data$Al2O3_wtp/3)*2>8-step3_data$Si_pfu,8-step3_data$Si_pfu,(step2_data$Al2O3_wtp/3)*2);
step3_data$Al_c4_pfu <- ifelse(step3_data$Si_pfu>8,0,step3_data$Al_c4_pfu);
step3_data$Al_c6_pfu <- ifelse(step3_data$Si_pfu+(step2_data$Al2O3_wtp/3)*2<8,0,((step2_data$Al2O3_wtp/3)*2)-step3_data$Al_c4_pfu);

Li_ve <- 0.31134*data$F_wtp-0.075895;
Li_ve <- ifelse(Li_ve<0,0,Li_ve);


return(step3_data[,c('Name',pfu_names,'Al_c4_pfu','Al_c6_pfu')]);
}

recalc.ms_tindle.test <- function () {
  src <- data.frame(Name='test',Na2O_wtp=0.28, MgO_wtp=9.31, 
  Al2O3_wtp=19.56, SiO2_wtp=34.25, Cl_wtp = 0.07, K2O_wtp=9.43, CaO_wtp=0.02,
  TiO2_wtp=2.3,Cr2O3_wtp=0.06,FeO_wtp =20.36);
 
  r <- recalc.bt_tindle (src);
  
  expect_equal(object = result$Al_c4_pfu,2.781, tolerance = 0.005);
  expect_equal(object = result$Al_c6_pfu,0.732, tolerance = 0.005);
  expect_equal(object = result$Li_pfu,0.17, tolerance = 0.005);
  expect_equal(object = result$Mg_pfu,2.115, tolerance = 0.005);
  expect_equal(object = result$OH_pfu,3.982, tolerance = 0.005);
}