mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-12-26 14:23:42 +01:00
33 lines
1.3 KiB
Python
33 lines
1.3 KiB
Python
from ..formatHandlerBase import formatHandlerBase
|
|
from ..formatName import formatName
|
|
from ...data import dataFileBase,DataType,method,excitationValue,datafileSelector,getSubtablesRange,AbsDataFile,state
|
|
from ...utils import getValFromCell, checkFloat
|
|
from ...LaTeX import newCommand
|
|
from TexSoup import TexSoup
|
|
import re
|
|
@formatName("doubleTBE")
|
|
class doubleTBEHandler(formatHandlerBase):
|
|
def readFromTable(self,table):
|
|
datalist=list()
|
|
subtablesMol=getSubtablesRange(table)
|
|
for rangeMol in subtablesMol:
|
|
data=AbsDataFile()
|
|
data.molecule=str(table[rangeMol,0])
|
|
data.method=method("TBE","CBS")
|
|
for mytrans in table[rangeMol]:
|
|
try:
|
|
mathsoup=TexSoup(mytrans[1])
|
|
except:
|
|
print(f"Error when parsing latex state: {str(mytransdesc[i])}")
|
|
exit(-1)
|
|
newCommand.runAll(mathsoup,self.commands)
|
|
mytransdesc=str(mathsoup)
|
|
infin=mytransdesc.split(r"\rightarrow")
|
|
for i,item in enumerate(infin):
|
|
m=re.match(r"^(?P<number>\d)\\[,:;\s]\s*\^(?P<multiplicity>\d)(?P<sym>\S*)",item.strip())
|
|
infin[i]=state(m.group("number"),m.group("multiplicity"),m.group("sym"))
|
|
cell=mytrans[6]
|
|
val,unsafe=getValFromCell(cell)
|
|
data.excitations.append(excitationValue(infin[0],infin[1],val,isUnsafe=unsafe))
|
|
datalist.append(data)
|
|
return datalist |