Rphree {Rphree} | R Documentation |
This function performs the actual PHREEQC calculations.
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 |
write |
Logical. If TRUE, PHREEQC will write its usual output on file on disk |
out |
If |
db |
Character vector: the database. If |
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 |
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 |
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)