remove.property: Remove a property associated with a molecule.

Description Usage Arguments Author(s) See Also Examples

View source: R/props.R

Description

In this context a property is a value associated with a key and stored with the molecule. This methd will remove the property defined by the key. If there is such key, a warning is raised.

Usage

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remove.property(molecule, key)

Arguments

molecule

The molecule to query. Should be a 'jobjRef' representing an 'IAtomContainer'

key

The property key as a character string

Author(s)

Rajarshi Guha (rajarshi.guha@gmail.com)

See Also

set.property, get.property, get.properties

Examples

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mol <- parse.smiles("CC1CC(C=O)CCC1")[[1]]
set.property(mol, 'prop1', 23.45)
set.property(mol, 'prop2', 'inactive')
get.properties(mol)
remove.property(mol, 'prop2')
get.properties(mol)

rcdk documentation built on March 13, 2020, 1:30 a.m.