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Get the charge on the atom.

Usage

get.charge(atom)

Arguments

atom

The atom to query

Value

An numeric representing the partial charge. If charges have not been set, `NULL` is returned

Details

This method returns the partial charge on the atom. If charges have not been set the return value is NULL, otherwise the appropriate charge.

Author

Rajarshi Guha (rajarshi.guha@gmail.com)