import VESIcal as v
import pickle
import warnings
warnings.filterwarnings('ignore')

myfile = v.BatchFile('cerro_negro.xlsx')

# Calculate isobars for all samples at 500, 1000, 2000, 3000, and 4000 bars (this will take  while to run...)
isobar_list = []
isopleth_list = []
for index, row in myfile.get_data().iterrows():
    print(row.name)
    isobars, isopleths = v.calculate_isobars_and_isopleths(sample=myfile.get_sample_composition(samplename=row.name, asSampleClass=True),
                                                         temperature=1200,
                                                         pressure_list=[500, 1000, 2000, 3000, 4000],
                                                         print_status=True).result
    isobar_list.append(isobars)
    isopleth_list.append(isopleths) # save this in case  we decide to use it later, since it's calculated anyways


with open('Interaction1_isobars.pickle', 'wb') as handle:
    pickle.dump(isobar_list, handle)

with open('Interaction1_isopleths.pickle', 'wb') as handle:
    pickle.dump(isopleth_list, handle)

# load data from pickled file

file = open('Interaction1_isobars.pickle', 'rb')
isobar_list = pickle.load(file)

# add sample names for easier referencing
sample_names = [row.name for index, row in myfile.get_data().iterrows()]

isobar_dict = {}
for count, value in enumerate(isobar_list):
    isobar_dict[sample_names[count]] = value

#Plot all isobars from dataset
fig, ax = v.plot(isobars=[isobar for isobar in isobar_dict.values()], isobar_labels=sample_names)
v.show()