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@ -39,22 +39,22 @@ |
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import requests |
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session = requests.session() |
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baseurl = "chemicaldb.teidkim.me" |
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session.post(baseurl + "/admin/login", {"username": <username>, "password": <password>}) |
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session.post(baseurl + "/admin/login", {"username": (username), "password": (password)}) |
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fields = { |
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"chemical_db_id": <db id from another database>, |
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"library": (library), |
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"library": (library, is a string), |
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# name, formula, and mass are required fields! |
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"name": (name of the chemical), |
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"formula": (molecular formula), |
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"mass": (monoisotopic mass, float), |
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"name": (name of the chemical, is a string), |
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"formula": (molecular formula, is a string), |
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"mass": (monoisotopic mass, is a float), |
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"pubchem_cid": <string>, |
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"pubmed_refcount": <integer> |
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"standard_class": <string> |
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"inchikey": <inchikey>, |
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"inchikey14": <inchikey14>, |
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"inchikey": <string>, |
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"inchikey14": <string>, |
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# final_mz and final_rt are required fields! |
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"final_mz": (m/z ratio after experiment, float), |
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"final_rt": (retention time after experiment, float), |
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"final_mz": (m/z ratio after experiment, is a float), |
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"final_rt": (retention time after experiment, is a float), |
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"final_adduct": <string>, |
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"final_adduct": <string>, |
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"detected_adducts": <string>, |
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