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"""
This file will generate a JSON blob usable by QCElemental for physical constants
"""
import datetime
import os
import black
import pandas as pd
import requests
table_url = "https://physics.nist.gov/cuu/Constants/Table/allascii.txt"
title = "NIST-CODATA Internationally Recommended 2018 Values of the Fundamental Physical Constants - SRD 121" # edited year from https://catalog.data.gov/dataset/nist-codata-fundamental-physical-constants-srd-121
date_modified = "2019-05-20" # https://pml.nist.gov/cuu/Constants/bibliography.html
data_through = "2018-12-31" # https://pml.nist.gov/cuu/Constants/bibliography.html
year = data_through.split("-")[0]
doi = "" # LAB: I can't find a thing
url = table_url
access_date = str(datetime.datetime.utcnow())
constants = requests.get(url).text
with open("localtable", "w") as fp:
fp.write(constants)
# Warning: colspecs="infer" or infer_nrows=400 still misses some ends of names
data_also = pd.read_fwf("localtable", widths=[60, 25, 24, 20], skiprows=[0, 1, 2, 3, 4, 5, 6, 7, 8, 10])
os.unlink("localtable")
constants = data_also.to_dict("index")
output = f'''
"""
This is a automatically generated file from the {year} NIST fundamental constants.
Title: {title}
Date: {date_modified}
DOI: {doi}
URL: {url}
Access Date: {access_date} UTC
File Authors: QCElemental Authors
"""
'''
constants_json = {
"title": title,
"date": date_modified,
"doi": doi,
"url": url,
"access_data": access_date,
"constants": {},
}
for pc in constants.values():
value = pc["Value"].strip()
uncertainty = pc["Uncertainty"]
if uncertainty == "(exact)":
value = value.replace("...", "")
constants_json["constants"][pc["Quantity"].lower()] = {
"quantity": pc["Quantity"],
"unit": str(pc["Unit"])
.replace("nan", "")
.replace("^-1", "^{-1}")
.replace("^-2", "^{-2}")
.replace("^-3", "^{-3}")
.replace("^-4", "^{-4}")
.replace("_90", "_{90}"),
"value": value.replace(" ", ""),
"uncertainty": uncertainty,
}
output += "nist_{}_codata = {}".format(year, constants_json)
output = black.format_str(output, mode=black.FileMode())
fn = f"nist_{year}_codata.py"
with open(fn, "w") as handle:
handle.write(output)
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