Merge branch 'plots_with_errorbars' into 'master'

numpy==1.19.0

scipy==1.5.2

PyYAML==5.3.1

matplotlib=3.2.2

def outputFitCurve(conf, d, m, mnum, chisq):

    fig = plt.figure()

    grph = fig.add_subplot(1,1,1)

    grph.set_autoscale_on(True)

    fig, ax = plt.subplots()

    ax.set_xscale("log", nonpositive='clip')

    ax.set_yscale("log", nonpositive='clip')

    ax.set_autoscale_on(True)

    # set the plot title

    val = "%6.4f" %(chisq)

    grph.set_title('Fit of profile '+str(mnum)+' to '+str(conf.datafile)+r' $\chi^2$='+val)

    ax.set_title('Fit of profile '+str(mnum)+' to '+str(conf.datafile)+r' $\chi^2$='+val)

    # set the text of the axes

    grph.set_xlabel('q  (1/${\AA}$)')

    grph.set_ylabel('Intensity  (1/cm)')

    ax.set_xlabel('q  (1/${\AA}$)')

    ax.set_ylabel('Intensity  (1/cm)')

    # plot the data and the fit curve.  No errorbars here

    grph.loglog(d.x, d.y, marker='o', mec='k', mfc='w', color='w')

    grph.loglog(m.x, m.y, 'r')

    # plot the data and the fit curve.

    ax.errorbar(d.x, d.y, yerr=d.dy, marker='o',mec='k',mfc='w',color='w',ecolor='k',elinewidth=2)

    ax.plot(m.x,m.y,color='r',linewidth=2, zorder=2.5)

    oname = str(conf.output)+"%02d.png" %(mnum)

    fig.savefig(oname,format='png')

setup(

    name='sas_temper',

	version='0.1',

    version='0.1.0',

    description='SAS data analysis using simulated annealing and reproducibility characterization.  Uses sasmodels package',

    packages=['sas_temper'],

    scripts=['scripts/sas_temper'],