Px: MacGregor, 2015

Pyroxene components. FeO - total.

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source('recalc_px_macgreg.r');

interpmin.px_macgreg <- function (wtp_data, ...)
{
d <- recalc.px_macgreg(wtp_data);
d$Si_pfu <- ifelse(d$Si_pfu<2,d$Si_pfu,2);
d$Al_c4_pfu <- ifelse(2-d$Si_pfu<d$Al_pfu,2-d$Si_pfu,d$Al_pfu);
d$Al_c6_pfu <- ifelse(d$Al_c4_pfu<d$Al_pfu,d$Al_pfu-d$Al_c4_pfu,0);

z <- d$Na_pfu+d$K_pfu;
dd <- d$Al_c6_pfu-d$Al_c4_pfu;
s1 <- d$Si_pfu-2;
s2 <- ifelse(s1<0,0,s1);
M3 <- d$Cr_pfu+2*(s2+d$Ti_pfu)+d$Fe_p3_pfu+dd;
ee <- M3-(d$Na_pfu+d$K_pfu);
e2 <- ifelse(ee<0,0,ee);
A1i <- d$Al_c4_pfu-d$Ti_pfu;
Na2i <- d$Na_pfu-d$Ti_pfu;
Na2 <- ifelse(Na2i<0,0,Na2i);
zp1 <- d$Na_pfu+d$K_pfu-d$Ti_pfu;
zp <- ifelse(zp1<0,0,zp1);
Ti_Napx <- d$Ti_pfu;
A1n <- ifelse(A1i<0,0,A1i);
A2n <- d$Al_c6_pfu - A1n;
A3n <- ifelse(A2n<0,0,A2n);
F2n <- ifelse(A2n<0,d$Fe_p3_pfu+A2n,d$Fe_p3_pfu);
g <- d$Ca_pfu - e2/2 - A1n;
g2 <- ifelse(g<0,0,g);
Di <- ifelse(g2>d$Mg_pfu,d$Mg_pfu,g2);
Hd <- 0.0;
h <- (d$Fe_p2_pfu + d$Mn_pfu + d$Mg_pfu - g2)/2;
Jd <- ifelse(A3n>zp,zp,A3n);
zn <- zp-A3n;
zm <- ifelse(zn<0,0,zn);
Ko <- ifelse(d$Cr_pfu > zm, zm, d$Cr_pfu);
zl <- zm - d$Cr_pfu;
zk <- ifelse(zl<0,0,zl);
Ac <- ifelse(d$Fe_p3_pfu>zk,zk,d$Fe_p3_pfu);
Kcpx <- d$K_pfu;

res <- data.frame(Name=wtp_data$Name);

res$X_Jd <- ifelse(Ko-Kcpx<0,Jd-Kcpx,Jd);
res$X_Ac <- Ac;
res$X_DiHd <- g2;
res$X_CaTs <- A1n;
res$X_Ko <- ifelse(Jd-Kcpx<0,Ko-Kcpx,Ko);
res$X_K_Ko <- ifelse(Jd-Kcpx<0,Kcpx,0);
res$X_K_Jd <- ifelse(Ko-Kcpx<0,Kcpx,0);
res$X_Ti_Napx <- Ti_Napx;
res$X_CaEs <- e2;
res$X_Opx <- ifelse(h>0,h,0);

return(res);
}

interpmin.px_macgreg.test <- function ()
{
  src <- data.frame(Name='test', SiO2_wtp=49.210, TiO2_wtp=0.19, Al2O3_wtp=11.180, Cr2O3_wtp=0.23,
                    FeO_wtp=6.28, MnO_wtp=0.00, MgO_wtp=19.160, CaO_wtp=16.16, Na2O_wtp=0.00, K2O_wtp=0.00);
 
  result <- interpmin.px_macgreg(src);
  
  expect_equal(object = result$X_Jd, 0.0, tolerance = 0.05);
  expect_equal(object = result$X_DiHd, 0.342, tolerance = 0.05);
  expect_equal(object = result$X_Opx, 0.392, tolerance = 0.05);

}