Example #1
0
    'CHO*': '$\mathrm{CHO*}$',
    'CH2O*': '$\mathrm{CH_2O*}$',
    'CH3O*': '$\mathrm{CH_3O*}$',
    'CH3OH': '$\mathrm{CH_3OH}$',
}

rxn_path = ['*', 'CHO*', 'CH2O*', 'CH3O*', 'CH3OH']

# plot colors
plot1color = 'black'
plot2color = '#e14f4f'

# calculate free energies
# you have to specify the thermodynamics modules to get the pathway to
# calculate free energies as shown
path.calculate_Gs(BG=at.G, mu=gt.G, mu_pe=pet.G)
# plot

# create a PlotStates object, that contains all the plotting information

ps = PlotStates(ax,                     # matplotlib ax object
                path.G,                 # pathway to plot
                halfwidth=0.25,         # customizing the appearance
                textwidth=0.,
                fontsize=font_size,
                color=plot1color,
                dashcolor=plot1color,
                textcolor=plot1color,
                textposition='above',
                text_vspace=0.02)