molsysmt.element.molecule.get_n_molecules

molsysmt.element.molecule.get_n_molecules(molecular_system, selection='all', redefine_molecules=False, syntax='MolSysMT')

Getting the total number of molecules in a molecular system or selection.

Parameters:

• molecular_system (molecular system) – Molecular system in any supported MolSysMT format.

• selection (str, list, tuple, or numpy.ndarray, default='all') – Selection string or boolean/integer array specifying elements.

• redefine_molecules (bool, default=False) – Whether to rebuild molecule partitioning.

• syntax (str, default='MolSysMT') – Selection syntax used to evaluate selection (e.g., ‘MolSysMT’, ‘MDTraj’).

Returns:

Number of molecules.

Return type:

int

Added in version 1.0.0.