simulate.py 文件源码

def plotStructure(self):

        structurexx, structureyy, structureex, structure3d = self.readStructure()
        noexchangecolors = len(set(structureex))
        exchangecolors = list(set(structureex))
        #self.figure2.suptitle('Structure [nm]')
        ax1 = self.figure2.add_subplot(111)
        ax1.cla()
        ax1.hold(True)
        ax1.axis('equal')

        for i in range(0, noexchangecolors):
            plotxx = []
            plotyy = []
            for j in range(0, len(structureex)):
                if structureex[j] == exchangecolors[i]:
                    plotxx.append(structurexx[j])
                    plotyy.append(structureyy[j])
            ax1.plot(plotxx, plotyy, 'o')

        distx = round(1 / 10 * (max(structurexx) - min(structurexx)))
        disty = round(1 / 10 * (max(structureyy) - min(structureyy)))

        ax1.axes.set_xlim((min(structurexx) - distx, max(structurexx) + distx))
        ax1.axes.set_ylim((min(structureyy) - disty, max(structureyy) + disty))
        self.canvas2.draw()

        exchangecolorsList = ','.join(map(str, exchangecolors))
        # UPDATE THE EXCHANGE COLORS IN BUTTON TO BE simulated
        self.exchangeroundsEdit.setText(str(exchangecolorsList))