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It dies on matching ExcessMolarVolume Value (cm ** 3 / mol) because the match pattern does not have asterisks.
>>>importre>>>property_header_matches= {
(header, re.match(r"^([a-zA-Z]+) Value \(([a-zA-Z0-9+-/\s]*)\)$", header))
forheaderindfifheader.find(" Value ") >=0
}
>>>property_header_matches
{('Density Value (g / ml)',
<re.Matchobject; span=(0, 22), match='Density Value (g / ml)'>),
('DielectricConstant Value ()',
<re.Matchobject; span=(0, 27), match='DielectricConstant Value ()'>),
('EnthalpyOfMixing Value (kJ / mol)',
<re.Matchobject; span=(0, 33), match='EnthalpyOfMixing Value (kJ / mol)'>),
('EnthalpyOfVaporization Value (kJ / mol)',
<re.Matchobject; span=(0, 39), match='EnthalpyOfVaporization Value (kJ / mol)'>),
('ExcessMolarVolume Value (cm ** 3 / mol)', None)}
Suggestion
property_header_matches = {
--- re.match(r"^([a-zA-Z]+) Value \(([a-zA-Z0-9+-/\s]*)\)$", header)+++ re.match(r"^([a-zA-Z]+) Value \(([a-zA-Z0-9+*-/\s]*)\)$", header)
for header in data_frame
if header.find(" Value ") >= 0
}
Or get rid of the check altogether, as new exciting units arise. (I notice no allowance for exponents, for example, even though kJ/mol and kJ mol^-1 should be equivalent.)
The text was updated successfully, but these errors were encountered:
I cannot create a ThermoMLDataSet from a pandas dataframe that was created from a dataset.
Diagnostics
It dies on matching
ExcessMolarVolume Value (cm ** 3 / mol)
because the match pattern does not have asterisks.Suggestion
Or get rid of the check altogether, as new exciting units arise. (I notice no allowance for exponents, for example, even though kJ/mol and kJ mol^-1 should be equivalent.)
The text was updated successfully, but these errors were encountered: