mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-11-04 21:24:00 +01:00
37 lines
1.2 KiB
Python
Executable File
37 lines
1.2 KiB
Python
Executable File
#!/usr/bin/env python3
|
|
import sys
|
|
import re
|
|
from enum import IntEnum,auto,unique
|
|
import numpy as np
|
|
from pathlib import Path
|
|
from lib import LaTeX
|
|
from lib.Orientation import Orientation
|
|
from TexSoup import TexSoup
|
|
from lib.data import AbsDataFile,ZPEDataFile,FluoDataFile,dataType
|
|
import argparse
|
|
DEBUG=True
|
|
parser = argparse.ArgumentParser()
|
|
parser.add_argument('--file', type=argparse.FileType('r'))
|
|
parser.add_argument('--type', type=str, choices=[t.name for t in list(dataType)])
|
|
parser.add_argument('--MoleculeOrentation',type=str, choices=[t.name for t in list(Orientation)],default=Orientation.LINE.name)
|
|
args = parser.parse_args()
|
|
print(args)
|
|
lines=args.file.readlines()
|
|
soup=TexSoup(lines)
|
|
commands=[LaTeX.newCommand(cmd) for cmd in soup.find_all("newcommand")]
|
|
dat=LaTeX.tabularToData(soup.tabular,commands)
|
|
scriptpath=Path(sys.argv[0]).resolve()
|
|
datapath=scriptpath.parents[1]/"static"/"data"
|
|
if DEBUG:
|
|
datapath=datapath/"test"
|
|
if not datapath.exists():
|
|
datapath.mkdir()
|
|
switcher={
|
|
dataType.ABS: AbsDataFile,
|
|
dataType.FLUO: FluoDataFile,
|
|
dataType.ZPE: ZPEDataFile
|
|
}
|
|
filecls=switcher.get(dataType[args.type])
|
|
datalst=filecls.readFromTable(dat,Orientation[args.MoleculeOrentation])
|
|
for data in datalst:
|
|
data.toFile(datapath) |