mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-11-04 13:13:55 +01:00
Merge branch 'master' into QUEST5
This commit is contained in:
commit
e02a5c7d07
@ -14,9 +14,8 @@ parser.add_argument('--file', type=argparse.FileType('r'))
|
|||||||
parser.add_argument('--defaultType', type=str, choices=[t.name for t in list(dataType)])
|
parser.add_argument('--defaultType', type=str, choices=[t.name for t in list(dataType)])
|
||||||
parser.add_argument('--format',type=str, choices=[t.name for t in list(Format)],default=Format.LINE.name)
|
parser.add_argument('--format',type=str, choices=[t.name for t in list(Format)],default=Format.LINE.name)
|
||||||
parser.add_argument('--debug', action='store_true', help='Debug mode')
|
parser.add_argument('--debug', action='store_true', help='Debug mode')
|
||||||
parser.add_argument('--prefix',type=str,default=None)
|
parser.add_argument('--suffix',type=str,default=None)
|
||||||
args = parser.parse_args()
|
args = parser.parse_args()
|
||||||
print(args)
|
|
||||||
lines=args.file.readlines()
|
lines=args.file.readlines()
|
||||||
soup=TexSoup(lines)
|
soup=TexSoup(lines)
|
||||||
commands=[LaTeX.newCommand(cmd) for cmd in soup.find_all("newcommand")]
|
commands=[LaTeX.newCommand(cmd) for cmd in soup.find_all("newcommand")]
|
||||||
@ -29,4 +28,4 @@ if not datapath.exists():
|
|||||||
datapath.mkdir()
|
datapath.mkdir()
|
||||||
datalst=dataFileBase.readFromTable(dat,format=Format[args.format],default=dataType[args.defaultType],commands=commands)
|
datalst=dataFileBase.readFromTable(dat,format=Format[args.format],default=dataType[args.defaultType],commands=commands)
|
||||||
for data in datalst:
|
for data in datalst:
|
||||||
data.toFile(datapath,args.prefix)
|
data.toFile(datapath,args.suffix)
|
@ -326,7 +326,7 @@ class dataFileBase(object):
|
|||||||
dic["DOI"]="" if self.DOI is None else self.DOI
|
dic["DOI"]="" if self.DOI is None else self.DOI
|
||||||
return dic
|
return dic
|
||||||
|
|
||||||
def toFile(self,datadir,prefix=None):
|
def toFile(self,datadir,suffix=None):
|
||||||
subpath=datadir/self.GetFileType().name.lower()
|
subpath=datadir/self.GetFileType().name.lower()
|
||||||
if not subpath.exists():
|
if not subpath.exists():
|
||||||
subpath.mkdir()
|
subpath.mkdir()
|
||||||
@ -337,8 +337,8 @@ class dataFileBase(object):
|
|||||||
fileNameComp=[molfilename,self.method.name]
|
fileNameComp=[molfilename,self.method.name]
|
||||||
if self.method.basis:
|
if self.method.basis:
|
||||||
fileNameComp.append(self.method.basis)
|
fileNameComp.append(self.method.basis)
|
||||||
if prefix:
|
if suffix:
|
||||||
fileNameComp.append(prefix)
|
fileNameComp.append(suffix)
|
||||||
fileName="_".join(fileNameComp)+".dat"
|
fileName="_".join(fileNameComp)+".dat"
|
||||||
file=subpath/fileName
|
file=subpath/fileName
|
||||||
if not file.exists():
|
if not file.exists():
|
||||||
|
Loading…
Reference in New Issue
Block a user