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I have searched but was unable to find a method that retrieved a full list of components in the database at runtime. I would also like to iterate through the available physical property models for each of the components, including the validity ranges (T & P). The reason for asking is that I am working on a graphical front end and would like to show this information to the user.
The text was updated successfully, but these errors were encountered:
fromthermosteamimportChemical# Load thermosteam first to implement pubchem_db.search methodfromchemicals.identifiersimportpubchem_db# Chemical metadata managertry: pubchem_db.search('badname') # Autoloads all metadata filesexcept: passall_chemicals= [Chemical(i.CASs) foriinpubchem_db.CAS_index.values()]
# Note that len(all_chemicals) == 74191, so your ram is going to suffer with list comprehension# You might want to use a generator instead
Only about 20,000 chemicals have any information other than the chemical metadata (names and molecular weight).
Although most T and P domains are by the book, some are a little arbitrary... suggestions are welcome :)
I have searched but was unable to find a method that retrieved a full list of components in the database at runtime. I would also like to iterate through the available physical property models for each of the components, including the validity ranges (T & P). The reason for asking is that I am working on a graphical front end and would like to show this information to the user.
The text was updated successfully, but these errors were encountered: