ram_cache.Rd

% Generated by roxygen2: do not edit by hand
% Please edit documentation in R/getcds.R
\docType{data}
\name{ram_cache}
\alias{ram_cache}
\title{RAM Cache Environment}
\format{
An environment with the following elements:
\itemize{
\item \code{CDs}: A data frame. The column names of \code{CDs} are the chemical descriptors listed in \link{CDFeatures}. The rownames in \code{CDs} are SMILES strings.
\item \code{CDRowNr}: A list. The names of the list elements equal the rownames of \code{CDs}. The values are the indices of the rows in the \code{CDs} data frame.
}
}
\usage{
ram_cache
}
\description{
An environment used for caching data in RAM.
}
\details{
This environment is used by \code{\link[=getCDsFor1Molecule]{getCDsFor1Molecule()}} to store the results of previous calculations to speed up subsequent calls. It gets initalized upon the first call of \code{\link[=getCDsFor1Molecule]{getCDsFor1Molecule()}} with the chemical descriptors for all molecules available in the \link{RP} dataset and the \code{HILIC} dataset of the \href{https://www.retip.app/}{Retip} package.
}
\examples{
dim(ram_cache$CDs) # 0 241
cds <- getCDsFor1Molecule(cache = TRUE, verbose = TRUE)
dim(ram_cache$CDs) # 1316 241
ram_cache$CDRowNr[["COC1=C(C=CC(=C1)CCN)O"]] # 2
ram_cache$CDs[1:10, 1:3]
}
\references{
Retip: Retention Time Prediction for Compound Annotation in Untargeted Metabolomics Paolo Bonini, Tobias Kind, Hiroshi Tsugawa, Dinesh Kumar Barupal, and Oliver Fiehn Analytical Chemistry 2020 92 (11), 7515-7522 DOI: 10.1021/acs.analchem.9b05765
}
\keyword{internal}