def update_values(self, string): """Measure and update the Torsion object values. Args: sdf_string """ updated_values = [] for i in range(len(self.positions)): updated_values.append(dihedral_measure(string, self.positions[i])) self.values = updated_values
def update_values(self, string): updated_values = [] for i in range(len(self.positions)): updated_values.append(dihedral_measure(string, self.positions[i])) self.values = updated_values