(options, args) = parser.parse_args()
if (len(args) != 3):
parser.error("incorrect number of arguments")
return options, args
if __name__ == "__main__":
_, args = cmdLineArgs()
fileName = args[0]
minRadius = float(args[1])
maxRadius = float(args[2])
print "Reading: ", fileName
print "Analysis radius: ", minRadius, "-", maxRadius
system = IO.readSystemFromFileXYZ(fileName)
connO = Connectivity(system, None, minRadius, maxRadius)
if connO._error:
print connO._error, connO._errMsg
print "avgCoordNumber:", connO.avgCoordNumber()
print "avgCoordNumberBySpecie:", connO.avgCoordNumberBySpecie()
print "avgBondDistance:", connO.avgBondDistance()
print "Finished."
