httk (version 2.1.0)

augment.table: Add a parameter value to the chem.physical_and_invitro.data table

Description

This internal function is used by add_chemtable to add a single new parameter to the table of chemical parameters. It should not be typically used from the command line.

Usage

augment.table(
  this.table,
  this.CAS,
  compound.name = NULL,
  this.property,
  value,
  species = NULL,
  reference,
  overwrite = FALSE,
  sig.fig = 4,
  clint.pvalue.overwrite = TRUE,
  allow.na = FALSE
)

Value

data.frame

A new data.frame containing the data in current.table augmented by new.table

Arguments

this.table

Object of class data.frame containing one row per chemical.

this.CAS

The Chemical Abstracts Service registry number (CAS-RN) correponding to the parameter value

compound.name

A name associated with the chemical (defaults to NULL)

this.property

The property being added/modified.

value

The value being assigned to this.property.

species

This is the species for the data in the new table. This may be omitted if a column in data.list gives the species value for each chemical or if the data are not species-specific (e.g., MW).

reference

This is the reference for the data in the new table. This may be omitted if a column in data.list gives the reference value for each chemical.

overwrite

If overwrite=TRUE then data in current.table will be replaced by any data in new.table that is for the same chemical and property. If overwrite=FALSE (DEFAULT) then new data for the same chemical and property are ignored. Funbound.plasma values of 0 (below limit of detection) are overwritten either way.

sig.fig

Sets the number of significant figures stored (defaults to 4)

clint.pvalue.overwrite

If TRUE then the Cl_int p-value is set to NA when the Cl_int value is changed unless a new p-value is provided. (defaults to TRUE)

allow.na

If TRUE (default is FALSE) then NA values are written to the table, otherwise they are ignored.

Author

John Wambaugh