Ejemplo n.º 1
0
 def wrapper(*args, **kwargs):
     with open(os.path.join(DATA_DIR, data_name), 'rb') as f:
         data = func(json.loads(f.read()), *args, **kwargs)
         if should_cache:
             cache(data, os.path.join(
                 OUTPUT_DIR, data_name.split(".")[0] + ".p")
             )
         return data
Ejemplo n.º 2
0
def create_trie():
    dictionary = load(os.path.join(OUTPUT_DIR, "element_data.p"))
    # read dictionary file into a trie
    trie = TrieNode()
    words = []
    for key in dictionary:
        words += key.split(" ")
    for key in set(words):
        trie.insert(key)
    for key in SYMBOL_MAPPING.keys():
        trie.insert(key)

    cache(trie, os.path.join(OUTPUT_DIR, "trie.p"))
Ejemplo n.º 3
0
                  for key, value in result.iteritems())
    return dict((" ".join(sorted(set(key.split(" ")))), value)
                for key, value in result.iteritems())


def parse_out_isotopes(data):
    for key, value in data.iteritems():
        if key in ELEMENT_MAPPING:
            isotopes = []
            for k in value.keys():
                try:
                    val = int(str(k))
                    assert val == float(str(k))
                    isotopes.append((k, value.pop(k)))
                except:
                    pass
            if isotopes:
                data[key]["isotopes"] = dict(isotopes)
    return data


if __name__ == "__main__":
    result = merge_dicts(
        load(os.path.join(OUTPUT_DIR, "atomic_ionization_output.p")),
        load(os.path.join(OUTPUT_DIR, "atomic_weight_compositions.p")))

    look_up = get_the_big_dict(parse_out_isotopes(result))
    print "\n".join(look_up.keys())
    print look_up["hydrogen"]
    cache(look_up, os.path.join(OUTPUT_DIR, "element_data.p"))