添加反应物产物信息


In [1]:
%matplotlib inline

In [2]:
from catplot.ep_components.ep_canvas import EPCanvas
from catplot.ep_components.ep_lines import ElementaryLine

创建画布


In [3]:
canvas = EPCanvas()


创建带有反应的Energy Profile Line


In [4]:
line = ElementaryLine([0.0, 1.2, 0.8], rxn_equation="A_s + B_s <-> A-B_2s -> AB_g + 2_s")

添加到画布中


In [5]:
canvas.add_line(line)

添加辅助线和物种注释


In [6]:
canvas.add_horizontal_auxiliary_line(line)
canvas.add_vertical_auxiliary_lines(line)


Out[6]:
<catplot.ep_components.ep_canvas.EPCanvas at 0x10a6234a8>

In [7]:
canvas.add_species_annotations(line)


Out[7]:
<catplot.ep_components.ep_canvas.EPCanvas at 0x10a6234a8>

效果


In [8]:
canvas.draw()
canvas.figure


Out[8]: