Commit 7eb3d3b9 authored by nsoler's avatar nsoler
Browse files

admin cc scripts

parent 385e84e0
Pipeline #2387 failed with stages
in 1 minute and 57 seconds
...@@ -6,7 +6,7 @@ from chemicalchecker.core.chemcheck import ChemicalChecker ...@@ -6,7 +6,7 @@ from chemicalchecker.core.chemcheck import ChemicalChecker
from get_repo_version import cc_repo_version from get_repo_version import cc_repo_version
#VERSION= "2020_02" #VERSION= "2020_02"
def export_features_sign0(cc_repo=None, outDir="/aloy/scratch/nsoler/CC_related/EXPORT_SIGN/sign0"): def export_features_sign0(destination="/aloy/scratch/nsoler/CC_related/EXPORT_SIGN/sign0_features", cc_repo=None):
if cc_repo is None: if cc_repo is None:
cc_repo = cc_repo_version() cc_repo = cc_repo_version()
...@@ -19,10 +19,23 @@ def export_features_sign0(cc_repo=None, outDir="/aloy/scratch/nsoler/CC_related/ ...@@ -19,10 +19,23 @@ def export_features_sign0(cc_repo=None, outDir="/aloy/scratch/nsoler/CC_related/
else: else:
print("Working with cc_repo:",cc_repo) print("Working with cc_repo:",cc_repo)
if not os.path.exists(destination):
try:
os.makedirs(destination)
except Exception as e:
print("ERROR while attempting to create destination folder", destination)
print(e)
else:
print("Created directory", destination)
cc = ChemicalChecker(cc_repo) cc = ChemicalChecker(cc_repo)
for space in "ABCDE": for space in "ABCDE":
for num in (1, 2, 3, 4, 5): for num in (1, 2, 3, 4, 5):
ds= space+str(num)+'.001' ds= space+str(num)+'.001'
sign0tmp = cc.get_signature('sign0', 'full', ds) sign0tmp = cc.get_signature('sign0', 'full', ds)
sign0tmp.export_features(outDir) sign0tmp.export_features(destination)
\ No newline at end of file
if __name__== '__main__':
destination="/aloy/scratch/nsoler/CC_related/EXPORT_SIGN/sign0_features"
export_features_sign0(destination=destination)
\ No newline at end of file
...@@ -54,4 +54,5 @@ def make symlinks(destination = "/aloy/scratch/nsoler/CC_related/EXPORT_SIGN", c ...@@ -54,4 +54,5 @@ def make symlinks(destination = "/aloy/scratch/nsoler/CC_related/EXPORT_SIGN", c
if __name__== '__main__': if __name__== '__main__':
destination = "" destination = "/aloy/web_checker/package_cc/2020_02/sign_links"
\ No newline at end of file make symlinks(destination=destination)
\ No newline at end of file
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