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