14 Commits (bee42f9fd920e197f1724742e0146d25ea7745b8)

Author SHA1 Message Date
Taha Ahmed bee42f9fd9 Reworked both from.SHE and as.SHE to resolve
the aforementioned bug and also some inconsistent behaviour when submitting a vector of potentials for certain electrode scales.
Both issues should be fixed now.
7 years ago
Taha Ahmed da7fa41179 Tweaked behaviour of scale argument if length==1
scale arg is recycled if it has unit length and length(potential) > 1. This saves the user some typing and makes the functions as.SHE() and from.SHE() easier to use.
7 years ago
Taha Ahmed cae4c711b3 Added function to convert *from* SHE.
Minor updates to RefCanonicalName(), including printing all options in a formatted table if no refname is specified.
7 years ago
Taha Ahmed 3da30f2920 Fixed a bug: electrode scales Li, Mg, or Na did not work
The matching algorithm would fail for any electrode scale that had string in potentials.as.SHE()$conc.string that was not "saturated" (which happened to be the alkali metals). Fixed this issue by making the matching step-wise, and adding a few more checks for zero rows returned.
7 years ago
Taha Ahmed 969244320c Added two functions: O2 solubility in water
from empirical fits, and one function that returns water vapour pressure (simply interpolates based on the previously available dataset).
7 years ago
Taha Ahmed 681e636bf4 Added water vapour pressure data,
and functions for converting torr <-> pascal.
7 years ago
Taha Ahmed 678a6ce4b7 Fixed circ dependency created in last commit
Goofed and declared dependency on photoec in previous commit. Fixed it by removing it and the non-exported function that used it.
Note to self: this package should not import any of my other packages.
7 years ago
TA a11f59eb22 Added function simpleCap() 7 years ago
Taha Ahmed 3f4462aae8 Added more data and squashed a few bugs. 8 years ago
Taha Ahmed b1bed60d40 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.
8 years ago
Taha Ahmed 82f635f3a3 as.SHE() now supports arguments with arbitrary length.
Ended up completely rewriting as.SHE() and some of the companion functions.
8 years ago
Taha Ahmed 1dee1918c1 Deprecated the old electrochemical conversion functions
AVS2SHE, SHE2AVS,ConvertRefPotEC and ConvertRefPot
8 years ago
Taha Ahmed 5d7230ebaf Completely reworked electrochemical scale converter
by adding a new family of functions.
Corrected package version number to dev. A few other smaller (older) changes.
8 years ago
Taha Ahmed e22546cb3c Refactored code into a rudimentary R package. 8 years ago