Rphree: Run online PHREEQC with the shipped 2.17 version
In Rphree: Interface to the geochemical modelling program PHREEQC

Description Usage Arguments Details Value Author(s) Examples

This function performs the actual PHREEQC calculations.

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Rphree(input = stop("No input specified.\n"), sel, write = FALSE,
  out = "Rphree", db = "phreeqc.dat", n, punch = 0, format = TRUE,
  verbose = FALSE)

`input`	The prepared input buffer, in form of a character vector, one line per element
`sel`	Selection of output blocks to be included in the formatted list. If missing, everything is included in the output. See also `RPhreeCheckSel` for more details.
`write`	Logical. If TRUE, PHREEQC will write its usual output on file on disk
`out`	If `write=TRUE`, this indicates the name of the output file to write to. The suffix ".Rout" will be added automatically
`db`	Character vector: the database. If `length(db)==1`, "db" is interpreted as filename on disk (relative path from the working directory); or else, it is a buffer (character vector) as returned by `db <- RPhreeFile(dbfile, is.db=TRUE)`
`n`	Integer, optional parameter (deprecated, will be suppressed in future versions) containing the number of simulations included in the input buffer. If unspecified, some heuristics will be performed to know how many `SOLUTIONS` are present in the input buffer
`punch`	number of parameters included in the PUNCH block. Not used if no PUNCH statement is present in the input buffer
`format`	Logical. If TRUE (which is default), the output blocks are formatted as `data.frame`
`verbose`	Logical. If TRUE, some additional checkpoint message is outputted to the R console

TODO

A list (or a list of lists) containing the output(s) of the calculation

MDL

## Not run:  ## Load the database
pqcdb <- RPhreeFile(system.file("extdata", "phreeqc.dat", package="Rphree"), is.db=TRUE)
## Load a phreeqc script
ex1 <- RPhreeFile(system.file("extdata", "ex1.phrq", package="Rphree"), is.db=FALSE)
## Define a selection
mysel <- c(kin=FALSE, tot=TRUE, desc=TRUE, species = TRUE, pphases = TRUE, SI=TRUE, punch =FALSE)
## Run PHREEQC!
equipqc <- Rphree(ex1, db=pqcdb, sel=mysel, write=FALSE)

## End(Not run)