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Fix maximum element failure #921

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Feb 6, 2024
Merged

Fix maximum element failure #921

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4 changes: 2 additions & 2 deletions matminer/utils/data.py
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Original file line number Diff line number Diff line change
Expand Up @@ -11,7 +11,7 @@

import numpy as np
import pandas as pd
from pymatgen.core.periodic_table import Element, _pt_data
from pymatgen.core.periodic_table import Element

__author__ = "Kiran Mathew, Jiming Chen, Logan Ward, Anubhav Jain, Alex Dunn"

Expand Down Expand Up @@ -206,7 +206,7 @@ def __init__(self):
with open(os.path.join(self.data_dir, f"{descriptor_name}.table")) as f:
self.all_elemental_props[descriptor_name] = dict()
lines = f.readlines()
for atomic_no in range(1, len(_pt_data) + 1): # max Z=103
for atomic_no in range(1, 118 + 1): # (max Z=118)
try:
if descriptor_name in ["OxidationStates"]:
prop_value = [float(i) for i in lines[atomic_no - 1].split()]
Expand Down
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