smartsSearch_OB {ChemmineOB} | R Documentation

## SMARTS Search

### Description

Returns the number of matches found for each compound given.

### Usage

    smartsSearch_OB(obmolRefs, smartsPattern, uniqueMatches = TRUE)

### Arguments

`obmolRefs` | A list of OBMol references ( of class '_p_OpenBabel__OBMol') representing the molecules to compute properites for. If you have your molecules in string format, you can create a list of OBMol references using the `forEachMol` function, see the example.
`smartsPattern` | Any valid SMARTS pattern.
`uniqueMatches` | Should only unique matches be counted?

### Value

A vector of counts.

### Author(s)

Kevin Horan

### Examples

    ## Not run:
    	molRefs = forEachMol("SMILES","C1CCCCC1\ttest-compound-name",identity)
    	smartsSearch_OB(molRefs,"[CH3X4]")

    ## End(Not run)

[Package ChemmineOB version 1.30.0 Index]