Source code for tcutility.analysis.vdd.charge
import attrs
[docs]
@attrs.define
class VDDCharge:
atom_index: int # index of the atom in the molecules
atom_symbol: str # symbol of the atom
charge: float # mili-electrons
frag_index: int # index of the fragment in the fragments list
[docs]
def change_unit(self, ratio: float):
self.charge *= ratio