getCompoundNames: Get Compound Names

In girke-lab/ChemmineR: Cheminformatics Toolkit for R

Get Compound Names

Description

Fetch the names of the given compound ids, if they exist

Usage

getCompoundNames(conn, compoundIds, keepOrder = FALSE, allowMissing = FALSE)

Arguments

conn	A database connection object, such as is returned by initDb.
compoundIds	A vector of compound ids.
keepOrder	If true, the order of the output compound ids will be the same as the input names. This imposes a performance hit that can be significant for large datasets, thus it should be left FALSE unless needed.
allowMissing	When this is false an error will be raised when compound ids queried were not found in the database. If true, just those that are found will be returned with no error or warning.

Value

Returns a vector of compound names.The rownames will be the compound ids. Compound ids not found, or for which a name is not defined, will be represented as NA.

Author(s)

Kevin Horan

Examples

   #create and initialize a new SQLite database
   conn = initDb("test2.db")

	data(sdfsample)

	#just load the data with no features or descriptors
	ids=loadSdf(conn,sdfsample)

   getCompoundNames(conn,ids[1:3])
	unlink("test3.db")

girke-lab/ChemmineR documentation built on July 28, 2023, 10:36 a.m.