def plotChainStress(): """ atomStress() ploting graphix chain stress """ xfile0 = '{}'.format(namespace.xfile[0]) xfile1 = '{}'.format(namespace.xfile[1]) xfile2 = '{}'.format(namespace.xfile[2]) xfile3 = '{}'.format(namespace.xfile[3]) xfile4 = '{}'.format(namespace.xfile[4]) xfile5 = '{}'.format(namespace.xfile[5]) xfile6 = '{}'.format(namespace.xfile[6]) xfile7 = '{}'.format(namespace.xfile[7]) xfile8 = '{}'.format(namespace.xfile[8]) xfile9 = '{}'.format(namespace.xfile[9]) l = (computeDist(xfile0, xfile1) + computeDist(xfile1, xfile2) + computeDist(xfile2, xfile3) + computeDist(xfile3, xfile4) + computeDist( xfile4, xfile5) + computeDist(xfile5, xfile6) + computeDist(xfile6, xfile7) + computeDist(xfile7, xfile8) + computeDist( xfile8, xfile9)) epsilon = (l - l[0]) / l[0] v = (l + 1.34) * np.pi if namespace.stressdia: time = np.array(getColumn(pfile, 0)).astype(float) * 0.001 p1 = pxx / v p2 = pyy / v p3 = pzz / v if namespace.toforce: p1 = np.pi * p1 / 100 p2 = np.pi * p2 / 100 p3 = np.pi * p3 / 100 plt.figure(title) plt.title(title) plt.xlabel(xlabel) plt.ylabel(ylabel) plt.grid(True) from operator import itemgetter list1 = epsilon list2 = p2 x, y = [list(x) for x in zip(*sorted(zip(list1, list2), key=itemgetter(0)))] # plt.plot(l, p1, 'b', label=l1) plt.plot(x, y, 'rx', label=l2) # plt.plot(l, p3, 'g', label=l3) if namespace.sumfilter: sumfsignal = noiseFilterPlot(time, p2) if namespace.plotpeaks: peak = plotPeaks(time, sumfsignal, 800, 20, 200, 5900) if namespace.windowfit: plotPolinom2Window(l, p1, c1[0], c1[1], c1[2], c1[3], 'k--') plotPolinom2Window(l, p2, c2[0], c2[1], c2[2], c2[3], 'k-') if namespace.stresstime: time = np.array(getColumn(pfile, 0)).astype(float) * 0.001 p1 = pxx / v p2 = pyy / v p3 = pzz / v if namespace.toforce: p1 = np.pi * p1 / 100 p2 = np.pi * p2 / 100 p3 = np.pi * p3 / 100 plt.figure(title) plt.title(title) plt.xlabel(xlabel) plt.ylabel(ylabel) plt.grid(True) plt.plot(time, p1, 'b', label=l1) plt.plot(time, p2, 'r', label=l2) plt.plot(time, p3, 'g', label=l3) if namespace.sumfilter: sumfsignal = noiseFilterPlot(time, p2) if namespace.plotpeaks: peak = plotPeaks(time, sumfsignal, 800, 20, 200, 5900) if namespace.windowfit: plotPolinom2Window(time, p1, c1[0], c1[1], c1[2], c1[3], 'k--') plotPolinom2Window(time, p2, c2[0], c2[1], c2[2], c2[3], 'k-') if namespace.plotpeaks: return peak
def plotAtomStress(): """ TODO atomStress() ploting graphix single atom stress """ if namespace.true: xfile0 = '{}'.format(namespace.xfile[0]) xfile1 = '{}'.format(namespace.xfile[1]) xfile2 = '{}'.format(namespace.xfile[2]) l1 = computeDist(xfile0, xfile1) l2 = computeDist(xfile1, xfile2) v = (0.5 * l1 + 0.5 * l2) * np.pi time = np.array(getColumn(pfile, 0)).astype(float) * 0.001 p1 = pxx / v p2 = pyy / v p3 = pzz / v if namespace.toforce: p1 = np.pi * p1 / 100 p2 = np.pi * p2 / 100 p3 = np.pi * p3 / 100 plt.figure(title) plt.title(title) plt.xlabel(xlabel) plt.ylabel(ylabel) plt.grid(True) plt.plot(time, p1, 'b') plt.plot(time, p2, 'r') plt.plot(time, p3, 'g') if namespace.sumfilter: sumfsignal = noiseFilterPlot(time, p2) if namespace.plotpeaks: peak = plotPeaks(time, sumfsignal, 800, 20, 200, 5900) if namespace.windowfit: plotPolinom2Window(time, p1, c1[0], c1[1], c1[2], c1[3], 'k--') plotPolinom2Window(time, p2, c2[0], c2[1], c2[2], c2[3], 'k-') if namespace.conditional: v = 1.34 * np.pi time = np.array(getColumn(pfile, 0)).astype(float) * 0.001 p1 = pxx / v p2 = pyy / v p3 = pzz / v if namespace.toforce: p1 = np.pi * p1 / 100 p2 = np.pi * p2 / 100 p3 = np.pi * p3 / 100 plt.figure(title) plt.title(title) plt.xlabel(xlabel) plt.ylabel(ylabel) plt.grid(True) plt.plot(time, p1, 'b') plt.plot(time, p2, 'r') plt.plot(time, p3, 'g') if namespace.sumfilter: sumfsignal = noiseFilterPlot(time, p2) if namespace.plotpeaks: peak = plotPeaks(time, sumfsignal, 800, 20, 200, 5900) if namespace.windowfit: plotPolinom2Window(time, p1, c1[0], c1[1], c1[2], c1[3], 'k--') plotPolinom2Window(time, p2, c2[0], c2[1], c2[2], c2[3], 'k-') if namespace.plotpeaks: return peak