def test_graphics_dict():
"""Test if No# of Reactions consistent with No# of Specie Lists"""
xml_filename = os.path.join(DATA_DIRECTORY, "rxnset_long.xml")
parser = Parser.ReactionParser(xml_filename)
concentration = ({
'H': 1,
'H2': 1,
'H2O': 0,
'H2O2': 1,
'HO2': 1,
'O': 1,
"O2": 1,
"OH": 1
})
temperature = 1000
rxnsys = ReactionSystems.ReactionSystem(parser.reaction_list,
parser.NASA_poly_coefs,
temperature, concentration)
target = "final/results"
graphics_dict = {
'node_color': "hello",
'rate': False,
'arrow_size': False,
'arrow_color': True,
'init_con': True,
'prod_con': True
}
obj = visualizer.ReactionPathDiagram(target,
rxnsys,
integrate=False,
time=None,
cluster=False)
obj.fit()
with pytest.raises(ValueError):
obj.connect(graphics_dict, size=5, separate=False)
concentration = ({'H':1, 'H2':1, 'H2O':0, 'H2O2':1, 'HO2':1, 'O':1, "O2":1, "OH":1})
temperature = 1000
# Set up reaction system
rxnsys = ReactionSystems.ReactionSystem(parser.reaction_list,
parser.NASA_poly_coefs,
temperature,
concentration)
target = "outputs/"
graph_dict = {'node_color':True,'rate':False,'arrow_size':True,'arrow_color':True,'init_con':True,'prod_con': True}
#compute the concentration change with timestep
for i in range(3):
graph = visualizer.ReactionPathDiagram(target+str(i), rxnsys, integrate=True, time=1e-15, cluster=True)
graph.fit()
graph.connect(graph_dict, size=5, separate = True)
graph.plot()
imgs = [target+str(i)+".gv.png" for i in range(3)]
graph.create_video(imgs, target+'output_video')
# Compute and sort reaction rates
rxnrates_dict = rxnsys.sort_reaction_rates()
# display reaction rates by species
for k, v in rxnrates_dict.items():
print("d[{0}]/dt : \t {1:e}".format(k, v))