Spaces:
Sleeping
Sleeping
Commit
·
001c319
1
Parent(s):
9215a83
Update code/add_structure.py
Browse files- code/add_structure.py +46 -16
code/add_structure.py
CHANGED
|
@@ -5,6 +5,7 @@ import zlib
|
|
| 5 |
from xml.etree import ElementTree
|
| 6 |
from urllib.parse import urlparse, parse_qs, urlencode
|
| 7 |
import requests
|
|
|
|
| 8 |
from requests.adapters import HTTPAdapter, Retry
|
| 9 |
from unipressed import IdMappingClient
|
| 10 |
"""
|
|
@@ -30,7 +31,10 @@ def get_pdb_ids_2(protein_id):
|
|
| 30 |
data={"from": from_db, "to": to_db, "ids": ids},
|
| 31 |
)
|
| 32 |
check_response(request)
|
| 33 |
-
|
|
|
|
|
|
|
|
|
|
| 34 |
|
| 35 |
def get_next_link(headers):
|
| 36 |
re_next_link = re.compile(r'<(.+)>; rel="next"')
|
|
@@ -40,17 +44,34 @@ def get_pdb_ids_2(protein_id):
|
|
| 40 |
return match.group(1)
|
| 41 |
|
| 42 |
def check_id_mapping_results_ready(job_id):
|
|
|
|
| 43 |
while True:
|
| 44 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 45 |
check_response(request)
|
| 46 |
j = request.json()
|
| 47 |
-
|
| 48 |
-
|
| 49 |
-
|
| 50 |
-
|
| 51 |
-
|
| 52 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 53 |
else:
|
|
|
|
| 54 |
return bool(j["results"] or j["failedIds"])
|
| 55 |
|
| 56 |
def get_batch(batch_response, file_format, compressed):
|
|
@@ -74,6 +95,7 @@ def get_pdb_ids_2(protein_id):
|
|
| 74 |
|
| 75 |
def get_id_mapping_results_link(job_id):
|
| 76 |
url = f"{API_URL}/idmapping/details/{job_id}"
|
|
|
|
| 77 |
request = session.get(url)
|
| 78 |
check_response(request)
|
| 79 |
return request.json()["redirectURL"]
|
|
@@ -144,36 +166,44 @@ def get_pdb_ids_2(protein_id):
|
|
| 144 |
job_id = submit_id_mapping(
|
| 145 |
from_db="UniProtKB_AC-ID", to_db="PDB", ids=protein_id
|
| 146 |
)
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 147 |
if check_id_mapping_results_ready(job_id):
|
| 148 |
link = get_id_mapping_results_link(job_id)
|
| 149 |
results = get_id_mapping_results_search(link)
|
| 150 |
-
|
| 151 |
-
|
| 152 |
-
|
| 153 |
-
|
| 154 |
-
return [i['to'] for i in results['results']]
|
| 155 |
def get_pdb_ids(protein_id):
|
| 156 |
try:
|
| 157 |
request = IdMappingClient.submit(
|
| 158 |
source="UniProtKB_AC-ID", dest="PDB", ids={protein_id})
|
|
|
|
| 159 |
try:
|
| 160 |
pdb_list = list(request.each_result())
|
|
|
|
| 161 |
return [i['to'] for i in pdb_list]
|
| 162 |
-
except:
|
|
|
|
| 163 |
get_pdb_ids_2(protein_id)
|
| 164 |
except requests.exceptions.HTTPError:
|
|
|
|
| 165 |
get_pdb_ids_2(protein_id)
|
| 166 |
except KeyError:
|
|
|
|
| 167 |
get_pdb_ids_2(protein_id)
|
| 168 |
"""
|
| 169 |
|
| 170 |
def get_pdb_ids(protein_id):
|
| 171 |
try:
|
| 172 |
request = IdMappingClient.submit(
|
| 173 |
-
|
| 174 |
pdb_list = list(request.each_result())
|
| 175 |
return [i['to'] for i in pdb_list]
|
| 176 |
-
|
| 177 |
except requests.exceptions.HTTPError:
|
| 178 |
return []
|
| 179 |
except unipressed.id_mapping.core.IdMappingError:
|
|
|
|
| 5 |
from xml.etree import ElementTree
|
| 6 |
from urllib.parse import urlparse, parse_qs, urlencode
|
| 7 |
import requests
|
| 8 |
+
import unipressed
|
| 9 |
from requests.adapters import HTTPAdapter, Retry
|
| 10 |
from unipressed import IdMappingClient
|
| 11 |
"""
|
|
|
|
| 31 |
data={"from": from_db, "to": to_db, "ids": ids},
|
| 32 |
)
|
| 33 |
check_response(request)
|
| 34 |
+
if check_response != None:
|
| 35 |
+
return request.json()["jobId"]
|
| 36 |
+
else:
|
| 37 |
+
return None
|
| 38 |
|
| 39 |
def get_next_link(headers):
|
| 40 |
re_next_link = re.compile(r'<(.+)>; rel="next"')
|
|
|
|
| 44 |
return match.group(1)
|
| 45 |
|
| 46 |
def check_id_mapping_results_ready(job_id):
|
| 47 |
+
print('entered')
|
| 48 |
while True:
|
| 49 |
+
print('True')
|
| 50 |
+
print('HR-1')
|
| 51 |
+
try:
|
| 52 |
+
request = session.get(f"{API_URL}/idmapping/status/{job_id}")
|
| 53 |
+
except requests.exceptions.RetryError:
|
| 54 |
+
print('eneted')
|
| 55 |
+
request = None
|
| 56 |
+
print('HR0-22')
|
| 57 |
check_response(request)
|
| 58 |
j = request.json()
|
| 59 |
+
print('HR0')
|
| 60 |
+
try:
|
| 61 |
+
print('HR1')
|
| 62 |
+
if "jobStatus" in j:
|
| 63 |
+
print('HR2')
|
| 64 |
+
if j["jobStatus"] == "RUNNING":
|
| 65 |
+
print(f"Retrying in {POLLING_INTERVAL}s")
|
| 66 |
+
time.sleep(POLLING_INTERVAL)
|
| 67 |
+
else:
|
| 68 |
+
print('HR3')
|
| 69 |
+
raise Exception(j["jobStatus"])
|
| 70 |
+
except:
|
| 71 |
+
print('HR4')
|
| 72 |
+
requests.exceptions.RetryError
|
| 73 |
else:
|
| 74 |
+
print('HR4')
|
| 75 |
return bool(j["results"] or j["failedIds"])
|
| 76 |
|
| 77 |
def get_batch(batch_response, file_format, compressed):
|
|
|
|
| 95 |
|
| 96 |
def get_id_mapping_results_link(job_id):
|
| 97 |
url = f"{API_URL}/idmapping/details/{job_id}"
|
| 98 |
+
|
| 99 |
request = session.get(url)
|
| 100 |
check_response(request)
|
| 101 |
return request.json()["redirectURL"]
|
|
|
|
| 166 |
job_id = submit_id_mapping(
|
| 167 |
from_db="UniProtKB_AC-ID", to_db="PDB", ids=protein_id
|
| 168 |
)
|
| 169 |
+
print('skhfkh')
|
| 170 |
+
print(submit_id_mapping(
|
| 171 |
+
from_db="UniProtKB_AC-ID", to_db="PDB", ids=protein_id
|
| 172 |
+
))
|
| 173 |
+
print('nor', check_id_mapping_results_ready(job_id))
|
| 174 |
if check_id_mapping_results_ready(job_id):
|
| 175 |
link = get_id_mapping_results_link(job_id)
|
| 176 |
results = get_id_mapping_results_search(link)
|
| 177 |
+
return [i['to'] for i in results['results']]
|
| 178 |
+
else:
|
| 179 |
+
print('no i am here')
|
| 180 |
+
return None
|
|
|
|
| 181 |
def get_pdb_ids(protein_id):
|
| 182 |
try:
|
| 183 |
request = IdMappingClient.submit(
|
| 184 |
source="UniProtKB_AC-ID", dest="PDB", ids={protein_id})
|
| 185 |
+
|
| 186 |
try:
|
| 187 |
pdb_list = list(request.each_result())
|
| 188 |
+
time.sleep(1)
|
| 189 |
return [i['to'] for i in pdb_list]
|
| 190 |
+
except unipressed.id_mapping.core.IdMappingError:
|
| 191 |
+
print('I AM HERE 1')
|
| 192 |
get_pdb_ids_2(protein_id)
|
| 193 |
except requests.exceptions.HTTPError:
|
| 194 |
+
print('I AM HERE 2')
|
| 195 |
get_pdb_ids_2(protein_id)
|
| 196 |
except KeyError:
|
| 197 |
+
print('I AM HERE 3')
|
| 198 |
get_pdb_ids_2(protein_id)
|
| 199 |
"""
|
| 200 |
|
| 201 |
def get_pdb_ids(protein_id):
|
| 202 |
try:
|
| 203 |
request = IdMappingClient.submit(
|
| 204 |
+
source="UniProtKB_AC-ID", dest="PDB", ids={protein_id})
|
| 205 |
pdb_list = list(request.each_result())
|
| 206 |
return [i['to'] for i in pdb_list]
|
|
|
|
| 207 |
except requests.exceptions.HTTPError:
|
| 208 |
return []
|
| 209 |
except unipressed.id_mapping.core.IdMappingError:
|