/
exp_t_check.py
82 lines (79 loc) · 3.7 KB
/
exp_t_check.py
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import pymongo
from pymatgen.matproj.rest import MPRester
import re
client = pymongo.MongoClient()
db = client.springer
mpr = MPRester()
if __name__ == '__main__':
missing_t_field = []
httitle_missing_t_field = []
htphase_missing_t_field = []
no_of_ht_paran = []
present_t_field = []
htparan_t_missing = []
incorrect_ht_title = []
incorrect_ht_phase = []
incorrect_ht_paran = []
y = []
x = 0
for doc in db['pauling_file_tags'].find({'structure': {'$exists': True}}).batch_size(75):
x += 1
if x % 1000 == 0:
print x
title = doc['metadata']['_Springer']['title']
phase = doc['metadata']['_Springer']['geninfo']['Phase Label(s)']
if 'T =' in title:
if 'temperature' not in doc['metadata']['_Springer']['expdetails']:
missing_t_field.append(doc['key'])
else:
present_t_field.append(doc['key'])
if ' ht' in title:
y.append(doc['key'])
if 'temperature' not in doc['metadata']['_Springer']['expdetails']:
httitle_missing_t_field.append(doc['key'])
else:
exp_t = doc['metadata']['_Springer']['expdetails']['temperature']
try:
temp_str = re.findall(r'T\s*=\s*(.*)\s*K', exp_t)[0]
temp_exp = float(re.sub('\(.*\)', '', temp_str))
if temp_exp < 400:
incorrect_ht_title.append(doc['key'])
except:
pass
if ' ht' in phase:
if 'temperature' not in doc['metadata']['_Springer']['expdetails']:
htphase_missing_t_field.append(doc['key'])
else:
exp_t = doc['metadata']['_Springer']['expdetails']['temperature']
try:
temp_str = re.findall(r'T\s*=\s*(.*)\s*K', exp_t)[0]
temp_exp = float(re.sub('\(.*\)', '', temp_str))
if temp_exp < 400:
incorrect_ht_phase.append(doc['key'])
except:
pass
if len(re.findall(r'\(.* ht.*\)', title)) > 0:
no_of_ht_paran.append(doc['key'])
if 'temperature' not in doc['metadata']['_Springer']['expdetails']:
htparan_t_missing.append(doc['key'])
else:
exp_t = doc['metadata']['_Springer']['expdetails']['temperature']
try:
temp_str = re.findall(r'T\s*=\s*(.*)\s*K', exp_t)[0]
temp_exp = float(re.sub('\(.*\)', '', temp_str))
if temp_exp < 400:
incorrect_ht_paran.append(doc['key'])
except:
pass
print 'Number of records missing temp field = {}'.format(len(missing_t_field))
print 'Number of records present with temp field = {}'.format(len(present_t_field))
print 'Number of HT title records missing temp field = {}'.format(len(httitle_missing_t_field))
print 'Number of HT title records incorrectly labeled according to Exp T = {}'.format(len(incorrect_ht_title))
print 'Number of HT phase records missing temp field = {}'.format(len(htphase_missing_t_field))
print 'Number of HT phase records incorrectly labeled according to Exp T = {}'.format(len(incorrect_ht_phase))
print 'Number of HT in title paranthesis = {}'.format(len(no_of_ht_paran))
print 'Number of HT in title paranthesis with Temp field missing = {}'.format(len(htparan_t_missing))
print 'Number of HT in title paranthesis incorrectly labeled according to Exp T = {}'.format(len(incorrect_ht_paran))
print 'sd_1926713' in incorrect_ht_paran
print htparan_t_missing[:10]
print len(y)