示例#1
0
 def add_options(self):
     AppBasinHopping.add_options(self)
     self.add_option("-d",
                     "--displace",
                     type="float",
                     dest="displace",
                     default=.5,
                     help="dispacement for random step taking",
                     group="OXDNA specific")
     self.add_option("-r",
                     "--rotate",
                     type="float",
                     dest="rotate",
                     default=0.5,
                     help="rotations for random step taking",
                     group="OXDNA specific")
     self.add_option("--reseed",
                     type="int",
                     dest="reseed",
                     default=1000,
                     help="maximum number of steps with no improvement",
                     group="Basinhopping")
     self.add_option("--block1",
                     type="int",
                     dest="block1",
                     default=100,
                     help="maximum number of steps with no improvement",
                     group="Basinhopping")
示例#2
0
 def add_options(self):
     AppBasinHopping.add_options(self)
     self.add_option("-d","--displace",type="float",
               dest="displace", default=.5,
               help="dispacement for random step taking",
               group="OXDNA specific")
     self.add_option("-r","--rotate",type="float",
               dest="rotate", default=0.5,
               help="rotations for random step taking",
               group="OXDNA specific")
     self.add_option("--reseed",type="int",
               dest="reseed", default=1000,
               help="maximum number of steps with no improvement",
               group="Basinhopping")
     self.add_option("--block1",type="int",
               dest="block1", default=100,
               help="maximum number of steps with no improvement",
               group="Basinhopping")