def calculator_test():
"""
Test the calculator(s)
"""
# instantiate default Calculator object
# and define initial state
calc = Calculator(structure=dna, wavelength=1.2)
# calculate XRD for the structure, using defined engine
#data_out = calc.calculateXRD(structure=diamond, engine="ASE")
# calculate XRD for the structure, using default engine
data_out = calc.calculateXRD()
# create a chart object
chart = Chart()
# add powder data to the chart. This needs to be made such that
# setData doesn't need a type (setData1D/setDataCrystal) but rather
# gets set depending on the type of the argument passed
chart.setData1D(data_out)
# create MPL representation of the Chart object
#mpl_chart = chart.getMplChart()
#mpl_chart.show()
# or just show it directly
chart.show()
