Python symbolの例

コード例 #1

ファイル: isothermal-ads-gas-cartoon.py プロジェクト: droundy/thesis-pommerenck

        rho_lo_p = mof_isotherms[mof]['rho_empty']  #*crystal_density[mof]
    else:
        rho_lo_p = mof_isotherms[mof]['rho_empty'] * crystal_density[mof]
    delta_G_lo_p = np.interp(rho_lo_p, n, mu) - mu_empty

    if basename == 'methane':
        rho_hi_p = mof_isotherms[mof]['rho_full']  #*crystal_density[mof]
    else:
        rho_hi_p = mof_isotherms[mof]['rho_full'] * crystal_density[mof]
    delta_G_hi_p = np.interp(rho_hi_p, n, mu) - mu_full

    if mof in mof_isotherms:
        plt.plot([delta_G_lo_p / (kJ / mol), delta_G_hi_p / (kJ / mol)],
                 [(rho_hi_p - rho_lo_p) / density_units,
                  (rho_hi_p - rho_lo_p) / density_units],
                 colors.symbol(basename) + '-',
                 label=colors.latex_mof(mof),
                 color=colors.color(mof))

stepby = None
if 20 < ymax < 200:
    stepby = 10
elif 200 < ymax < 1000:
    stepby = 100
elif 1000 < ymax < 3000:
    stepby = 500
if stepby is not None:
    plt.yticks(
        list(range(0, int(ymax), stepby)) + [round(ymax)] +
        list(range((int(ymax / stepby) + 1) * stepby, int(y_max_lim), stepby)))

コード例 #2

ファイル: isothermal-ads-gas-plot.py プロジェクト: SimonEnsemble/thesis-pommerenck-1

    if basename == 'methane':
        rho_lo_p = mof_isotherms[mof]['rho_empty']  #*crystal_density[mof]
    else:
        rho_lo_p = mof_isotherms[mof]['rho_empty'] * crystal_density[mof]
    delta_G_lo_p = np.interp(rho_lo_p, n, mu) - mu_empty

    if basename == 'methane':
        rho_hi_p = mof_isotherms[mof]['rho_full']  #*crystal_density[mof]
    else:
        rho_hi_p = mof_isotherms[mof]['rho_full'] * crystal_density[mof]
    delta_G_hi_p = np.interp(rho_hi_p, n, mu) - mu_full

    plt.plot([delta_G_lo_p / (kJ / mol), delta_G_hi_p / (kJ / mol)],
             [(rho_hi_p - rho_lo_p) / density_units,
              (rho_hi_p - rho_lo_p) / density_units],
             colors.symbol(basename) + '-',
             label=colors.latex_mof(mof),
             color=colors.color(mof))

stepby = None
if 20 < ymax < 200:
    stepby = 10
elif 200 < ymax < 1000:
    stepby = 100
elif 1000 < ymax < 3000:
    stepby = 500
if stepby is not None:
    plt.yticks(
        list(range(0, int(ymax), stepby)) + [round(ymax)] +
        list(range((int(ymax / stepby) + 1) * stepby, int(y_max_lim), stepby)))
plt.legend(loc='lower right', framealpha=1.0, prop=small_font)

コード例 #3

ファイル: gibbs-qst.py プロジェクト: SimonEnsemble/thesis-pommerenck-1

for mof in colors.order(CH4_298_E_Data):  # For each MOF
    fname = 'data/%s/%s-%g.txt' % ('methane', mof, 298)
    MofData = np.loadtxt(fname, skiprows=1, unpack=True)
    T_MOF = MofData[0][0] * Kelvin
    p_MOF = MofData[1] * bar
    rho_MOF = MofData[2] * density_units
    rho_lo_p = my_interp(p_empty, p_MOF, rho_MOF)
    delta_G_lo_p = mu_from_n(rho_lo_p) - mu_empty

    rho_hi_p = my_interp(p_full, p_MOF, rho_MOF)
    delta_G_hi_p = mu_from_n(rho_hi_p) - mu_full

    qst = CH4_298_E_Data[mof]
    plt.plot([delta_G_lo_p / (kJ / mol), delta_G_hi_p / (kJ / mol)],
             [qst / (kJ / mol), qst / (kJ / mol)],
             colors.symbol('methane') + '-',
             label=colors.latex_mof(mof),
             color=colors.color(mof))
    mofs_shown.add(colors.latex_mof(mof))

# --- Read in the data from NIST --- #
NistData = None
mu = None
p = None
NistDataCold = np.loadtxt('data/' + 'hydrogen-77.csv', skiprows=1)
NistDataHot = np.loadtxt('data/' + 'hydrogen-77.csv', skiprows=1)
molecular_weight = 2.016 * gram / mol
density_units = kg / L / molecular_weight
p_empty = 5 * bar
p_full = 100 * bar