Ejemplo n.º 1
0
 def _export_atom(self, toppar):
     if self.atom is not None:
         masses = [ rw.mass_reader(line) for line in self.atom ]
         toppar.mass = tp._merge_mass(masses, toppar.mass)
Ejemplo n.º 2
0
 def _export_mass(self, toppar):
     if self.mass is not None:
         masses = [ rw.mass_reader(line) for line in self.mass ]
         merged = tp._merge_mass(masses, toppar.mass)
         if merged is not None:
             toppar.mass = merged