Ejemplo n.º 1
0
    def test_icvm_log(self):
        """
        icvm log
        """
        path = os.path.join(TEST_PATH, 'montecarlo/i-s/fcci/Ti1C1/str_energy.txt')
        path = os.path.join(TEST_PATH, 'montecarlo/i-s/fcci/Ti1C1/R5N4/log.txt')
        log = CVMLogEnth.from_file_ternary(path)
        log.stable.data += log.meta.data

        print(log.stable['c_a'] )
        conc_A = log.stable['c_a']
        print(conc_A)

        conc_C = log.stable['c_c']  / (0.5 + log.stable['c_a'])
        print(conc_C)

        data_xyz = np.c_[conc_A, conc_C,
                         log.stable['enth']]

        fig = pylab.figure()
        ax = Axes3D(fig)
        pt3d = convex_hull.PlotTriangularCoord(ax)
        pt3d.plt_dot(data_xyz)

        path = os.path.join(TEST_PATH, 'montecarlo/i-s/fcci/Ti0C1/str_energy.txt')
        log = CVMLogEnth.from_file_ternary(path)
        log.stable.data += log.meta.data

        print(log.stable['c_a'] )
        conc_A = log.stable['c_a']
        print(conc_A)

        conc_C = (0.5 - log.stable['c_c'])  / (0.5 + log.stable['c_a'])
        print(conc_C)

        data_xyz = np.c_[conc_A, conc_C,
                         log.stable['enth']]

        pt3d.plt_dot(data_xyz, color='r')

        pylab.show()