mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-12-24 13:23:40 +01:00
Merge branch 'master' into QUEST2
This commit is contained in:
commit
dafaf023f7
@ -242,7 +242,10 @@ class dataFileBase(object):
|
||||
subpath=datadir/self.GetFileType().name.lower()
|
||||
if not subpath.exists():
|
||||
subpath.mkdir()
|
||||
fileName="{}_{}.dat".format(self.molecule.lower().replace(" ","_"),self.method.name) if self.method.basis==None else "{}_{}_{}.dat".format(self.molecule.lower().replace(" ","_"),self.method.name,self.method.basis)
|
||||
fileNameComp=[self.molecule.lower().replace(" ","_"),self.method.name]
|
||||
if self.method.basis:
|
||||
fileNameComp.append(self.method.basis)
|
||||
fileName="_".join(fileNameComp)+".dat"
|
||||
file=subpath/fileName
|
||||
if not file.exists():
|
||||
with file.open("w") as f:
|
||||
|
Loading…
Reference in New Issue
Block a user