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Add support for unsafe data in Line format

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This commit is contained in:
Mickaël Véril 2019-12-17 12:49:02 +01:00
parent 0cef9b8935
commit 464923c04b
1 changed files with 6 additions and 1 deletions
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7
tools/lib/data.py
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@ -1,6 +1,7 @@
from collections import OrderedDict
from TexSoup import TexSoup
from .LaTeX import newCommand
from TexSoup import TexNode
from enum import IntEnum,auto,unique,IntFlag
from .Format import Format
import re
@ -77,7 +78,11 @@ class dataFileBase(object):
datacls=dict()
for index,cell in enumerate(col[3:]):
if str(cell)!="":
unsafe=False
val= list(cell.contents)[0]
if type(val) is TexNode and val.name=='emph':
unsafe=True
val=val.string
val=float(str(val))
finst=finsts[index]
dt=finst[1]
@ -89,7 +94,7 @@ class dataFileBase(object):
datacls[dt]=data
data.molecule=mymolecule
data.method=mymethod
data.excitations.append(excitationValue(firstState,finst[0],val,type=finst[2],isUnsafe=False))
data.excitations.append(excitationValue(firstState,finst[0],val,type=finst[2],isUnsafe=unsafe))
datalist.append(data)
return datalist
elif format==Format.COLUMN: