Potentials vs SHE now converted to SHE.

Previous behaviour returned NAs for values that were already vs SHE. That issue now fixed. The fix included added SHE (zero at all temperatures) to as.SHE.data.

DESCRIPTION

@@ -1,7 +1,7 @@
 Package: common
 Type: Package
 Title: chepec common
-Version: 0.0.0.9002
+Version: 0.0.0.9003
 Description: Commonly used functions and scripts.
 Authors@R: person("Taha", "Ahmed", email = "taha@chepec.se", role = c("aut", "cre"))
 License: GPL-3

R/unit-converters-electrochemical.R

@@ -179,7 +179,11 @@ potentials.as.SHE <- function() {
                                 "Hg2Cl2/Hg", "KCl(aq)", "4.2", "saturated",   "30", "0.241", "6", "Sawyer1995",
                                 "Hg2Cl2/Hg", "KCl(aq)", "4.2", "saturated",   "35", "0.238", "6", "Sawyer1995",
                                 "Hg2Cl2/Hg", "KCl(aq)", "4.2", "saturated",   "40", "0.234", "6", "Sawyer1995",
-                                "AVS",       "",        "",     "",           "25", "-4.44", "7", "Trasatti1986"),
+                                "AVS",       "",        "",     "",           "25", "-4.44", "7", "Trasatti1986",
+                                "SHE",       "",        "",     "",      "-273.15",  "0.00",  "8", "Inzelt2013",
+                                "SHE",       "",        "",     "",            "0",  "0.00",  "8", "Inzelt2013",
+                                "SHE",       "",        "",     "",           "25",  "0.00",  "8", "Inzelt2013",
+                                "SHE",       "",        "",     "",          "580",  "0.00",  "8", "Inzelt2013"),
                            ncol = 8,
                            byrow = TRUE), stringsAsFactors = FALSE)
 
@@ -283,6 +287,12 @@ as.SHE <- function(potential,
    # add column to hold calc potential vs SHE
    df$SHE <-  as.numeric(NA)
 
+   # SHE scale special considerations
+   # 1. concentration is constant
+   if (any(df$scale == RefCanonicalName("SHE"))) {
+      df$concentration[which(df$scale == RefCanonicalName("SHE"))] <- ""
+   }
+
    # AVS scale special considerations
    # 1. concentration is meaningless
    # 2. direction is opposite of electrochemical scales, requiring change of sign