[CHNOSZ-commits] r783 - in pkg/CHNOSZ: . R man
noreply at r-forge.r-project.org
noreply at r-forge.r-project.org
Mon May 15 11:04:46 CEST 2023
Author: jedick
Date: 2023-05-15 11:04:46 +0200 (Mon, 15 May 2023)
New Revision: 783
Modified:
pkg/CHNOSZ/DESCRIPTION
pkg/CHNOSZ/R/diagram.R
pkg/CHNOSZ/man/add.OBIGT.Rd
pkg/CHNOSZ/man/solubility.Rd
pkg/CHNOSZ/man/swap.basis.Rd
Log:
Minor changes
Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION 2023-03-21 06:36:57 UTC (rev 782)
+++ pkg/CHNOSZ/DESCRIPTION 2023-05-15 09:04:46 UTC (rev 783)
@@ -1,6 +1,6 @@
-Date: 2023-03-21
+Date: 2023-05-15
Package: CHNOSZ
-Version: 2.0.0-2
+Version: 2.0.0-3
Title: Thermodynamic Calculations and Diagrams for Geochemistry
Authors at R: c(
person("Jeffrey", "Dick", , "j3ffdick at gmail.com", role = c("aut", "cre"),
Modified: pkg/CHNOSZ/R/diagram.R
===================================================================
--- pkg/CHNOSZ/R/diagram.R 2023-03-21 06:36:57 UTC (rev 782)
+++ pkg/CHNOSZ/R/diagram.R 2023-05-15 09:04:46 UTC (rev 783)
@@ -137,7 +137,7 @@
} else message(paste("diagram: plotting", plotvar, " / n.balance"))
}
- ## Use molality instead of activity if the affinity calculation include ionic strength 20171101
+ ## Use molality instead of activity if the affinity calculation includes ionic strength 20171101
molality <- "IS" %in% names(eout)
## When can normalize and as.residue be used
Modified: pkg/CHNOSZ/man/add.OBIGT.Rd
===================================================================
--- pkg/CHNOSZ/man/add.OBIGT.Rd 2023-03-21 06:36:57 UTC (rev 782)
+++ pkg/CHNOSZ/man/add.OBIGT.Rd 2023-05-15 09:04:46 UTC (rev 783)
@@ -84,7 +84,7 @@
# Retrieve the data for this species using either name or formula
info(info("lorem-ipsum"))
info(info("C123"))
-# reset database
+# Reset database
OBIGT()
## Using add.OBIGT():
Modified: pkg/CHNOSZ/man/solubility.Rd
===================================================================
--- pkg/CHNOSZ/man/solubility.Rd 2023-03-21 06:36:57 UTC (rev 782)
+++ pkg/CHNOSZ/man/solubility.Rd 2023-05-15 09:04:46 UTC (rev 783)
@@ -81,7 +81,7 @@
\code{demo("solubility")} shows solubilities of CO\s{2} and calcite calculated as a function of pH and T; note that for calcite, the \code{dissociate} argument is set to TRUE.
\code{demo("gold")} shows solubility calculations for Au in aqueous solutions with hydroxide, chloride, and hydrosulfide complexes.
-Solubility calculations for multiple minerals are used for generating isosolubility (aka. equisolubility) lines in \code{demo("Pourbaix")} and \code{demo("zinc")}.
+Solubility calculations for multiple minerals are used for generating isosolubility (aka. equisolubility) lines in \code{demo("Pourbaix")} and \code{demo("minsol")}.
The latter demo combines the calculation of solubilities with a \code{\link{mosaic}} calculation to account for the speciation of aqueous sulfur.
Whereas \code{solubility} yields a stable equilibrium condition (the affinities of formation reactions of aqueous species are zero), \code{\link{equilibrate}} generates metastable equilibrium (the affinities of formation reactions are equal to each other, but not necessarily zero).
Modified: pkg/CHNOSZ/man/swap.basis.Rd
===================================================================
--- pkg/CHNOSZ/man/swap.basis.Rd 2023-03-21 06:36:57 UTC (rev 782)
+++ pkg/CHNOSZ/man/swap.basis.Rd 2023-05-15 09:04:46 UTC (rev 783)
@@ -40,11 +40,11 @@
\examples{
\dontshow{reset()}
## Swapping basis species
-# start with a preset basis definition
+# Start with a preset basis definition
b1 <- basis("CHNOS+")
-# swap H2(aq) for O2(gas)
+# Swap H2(aq) for O2(gas)
b2 <- swap.basis("O2", "H2")
-# put oxygen back in
+# Put oxygen back in
b3 <- swap.basis("H2", "oxygen")
# Interconversion of chemical potentials of elements and
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