molsysmt.element.group.water.is_water

molsysmt.element.group.water.is_water(name)

Check whether a group name corresponds to a water molecule.

Parameters:

name (str) – Residue or group name as stored in the topology (e.g. 'HOH', 'WAT', 'TIP3', 'SOL').

Returns:

True if name belongs to the set of known water group names, False otherwise.

Return type:

bool

Notes

The recognised names are defined in molsysmt.element.group.water.water_names.

Added in version 1.0.0.