示例#1
0
文件: prm.py 项目: jo-sm/charmminglib
 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)
示例#2
0
文件: rtf.py 项目: jo-sm/charmminglib
 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