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Packages
chemical_checker
Commits
40a77a71
Commit
40a77a71
authored
Feb 11, 2021
by
nsoler
Browse files
admin cc scripts
parent
c8ed0dd7
Pipeline
#2389
failed with stages
in 2 minutes
Changes
1
Pipelines
1
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Inline
Side-by-side
package/scripts/add_metadata.py
View file @
40a77a71
...
...
@@ -12,11 +12,15 @@ import h5py
#VERSION= "2020_02"
from
get_repo_version
import
cc_repo_version
def
remove_backups
(
cc_repo
):
def
remove_backups
(
cc_repo
=
"2020_02"
):
"""
Removes the previous signx_BACKUP.h5 so that the next function can generate them
DANGEROUS script! Be careful.
"""
root
=
"/aloy/web_checker/package_cc/"
cc_repo
=
os
.
path
.
join
(
root
,
cc_repo
)
signatures
=
'0123'
for
molset
in
(
'full'
,
'reference'
):
for
space
in
"ABCDE"
:
for
num
in
"12345"
:
...
...
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