def __init__(self):
my_parser = Results()
my_parser.multi()
my_parser.parser.add_argument('-E','--beads',help='beads for structure analysis',default=['62'],
type = str, nargs = '+')
my_parser.parser.add_argument('-abc','--vectors', help='unit cell vectors. For folding coordinates into a unit cell',
type = float, nargs = '+', default = [20.022,19.899,13.383])
args = vars(my_parser.parse_args())
self.args = args
self.checks()
def __init__(self):
my_parser = Results()
my_parser.multi()
my_parser.parser.add_argument('-B1','--bead1',help='bead from for rdf',
type = str,nargs='+')
my_parser.parser.add_argument('-M1','--mol1',help='mol from for rdf',
type = str,nargs='+')
my_parser.parser.add_argument('-B2','--bead2',help='bead to for rdf',
type = str,nargs='+')
my_parser.parser.add_argument('-M2','--mol2',help='mol to for rdf',
type = str,nargs='+')
my_parser.parser.add_argument('-bins','--bins',help='radial bin size for rdf',
type = float,default=0.2)
my_parser.parser.add_argument('-r','--rmax',help='max radius for rdf',
type = float, default=14.0)
my_parser.parser.add_argument('-d','--dimensions',help='Dimensions for RDF',
type = str,nargs='+',default=['x','y','z'])
args = vars(my_parser.parse_args())
self.args = args
self.checks()