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Starting to fix python code for QUEST#2
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@ -154,13 +154,26 @@ class dataFileBase(object):
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mytrans[i]=str(mathsoup)
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mytrans[i]=str(mathsoup)
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for col in range(3,np.size(table,1)):
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for col in range(3,np.size(table,1)):
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col=table[:,col]
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col=table[:,col]
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mybasis=col[2]
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mybasis=col[1]
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for index,cell in enumerate(col[first:last+1]):
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for index,cell in enumerate(col[first:last+1]):
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mymethod=method(str(table[index,2],mybasis))
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methodnameAT1=str(table[first+index,2])
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if str(cell)!="":
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PTString="($\%T_1$)"
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m=re.match(r"(?P<value>[-+]?\d*\.?\d+)\s*\((?:(?P<T1>\d*\.?\d+)\%)|(?P<?>\d*\.?\d+)\)")
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HasT1=methodnameAT1.endswith(PTString)
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val,unsafe=getValFromCell(m.group("value"))
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if HasT1:
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T1=m.group("T1")
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methodname=methodnameAT1[:-len(PTString)]
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else:
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methodname=methodnameAT1
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mymethod=method(methodname,mybasis)
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strcell=str(cell)
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if strcell!="":
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if HasT1:
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m=re.match(r"^(?P<value>[-+]?\d+\.?\d*)\s*\((?P<T1>\d*\.?\d+)\%\)$",strcell)
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val,unsafe=getValFromCell(TexSoup(m.group("value")))
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T1=m.group("T1")
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else:
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m=re.match(r"^[-+]?\d+\.?\d*",strcell)
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val,unsafe=getValFromCell(TexSoup(m.group(0)))
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T1=None
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finst=finsts[index]
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finst=finsts[index]
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if (mymolecule,mymethod) in datacls:
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if (mymolecule,mymethod) in datacls:
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data=datacls[(mymolecule,mymethod)]
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data=datacls[(mymolecule,mymethod)]
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