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()