def clean_species(self):
"""
Custom validation for the species field to ensure that a valid adjacency
list has been provided.
"""
try:
NASA = str(self.cleaned_data['NASA'])
if NASA == '' : return ''
readThermoEntry(NASA)
except Exception, e:
import traceback
traceback.print_exc(e)
raise forms.ValidationError('Invalid NASA Polynomial.')
def clean_species(self):
"""
Custom validation for the species field to ensure that a valid adjacency
list has been provided.
"""
try:
NASA = str(self.cleaned_data['NASA'])
if NASA == '': return ''
readThermoEntry(NASA)
except Exception, e:
import traceback
traceback.print_exc(e)
raise forms.ValidationError('Invalid NASA Polynomial.')
def evaluateNASA(request):
"""
Creates webpage form form entering a chemkin format NASA Polynomial and quickly
obtaining it's enthalpy and Cp values.
"""
from rmgpy.chemkin import readThermoEntry
form = NASAForm()
thermo = None
thermoData = None
if request.method == 'POST':
posted = NASAForm(request.POST, error_class=DivErrorList)
initial = request.POST.copy()
if posted.is_valid():
NASA = posted.cleaned_data['NASA']
if NASA != '':
species, thermo, formula = readThermoEntry(str(NASA))
try:
thermoData = thermo.toThermoData()
except:
# if we cannot convert the thermo to thermo data, we will not be able to display the
# H298, S298, and Cp values, but that's ok.
pass
form = NASAForm(initial, error_class=DivErrorList)
return render(request, 'NASA.html', {'form': form, 'thermo':thermo, 'thermoData':thermoData})
