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Try support quest#2 format

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This commit is contained in:
Mickaël Véril 2020-02-21 12:04:26 +01:00
parent 64b78ec3bf
commit 4033f559fc
2 changed files with 40 additions and 1 deletions
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2
tools/lib/Format.py
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@ -3,4 +3,6 @@ from enum import IntEnum,auto,unique
class Format(IntEnum):
LINE=auto()
COLUMN=auto()
DOUBLECOLUMN=auto()
TBE=auto()
DOUBLETBE=auto()

37
tools/lib/data.py
View File

@ -136,6 +136,43 @@ class dataFileBase(object):
for value in datacls.values():
datalist.append(value)
return datalist
elif format==Format.DOUBLECOLUMN:
subtablesindex=getSubtableIndex(table)
for first, last in subtablesindex:
mymolecule=table[first,0]
mytrans=table[first:first+1,1]
for i,mystr in enumerate(mytrans)):
mystr=mytrans[i]
try:
mathsoup=TexSoup(mystr)
except:
print(f"Error when parsing latex state: {mystr}")
exit(-1)
newCommand.runAll(mathsoup,commands)
mytrans[i]=str(mathsoup)
for col in range(3,np.size(table,1)):
col=table[:,col]
mybasis=col[2]
for index,cell in enumerate(col[first:last+1]):
mymethod=method(str(table[index,2],mybasis))
if str(cell)!="":
m=re.match(r"(?P<value>[-+]?\d*\.?\d+)\s*\((?:(?P<T1>\d*\.?\d+)\%)|(?P<?>\d*\.?\d+)\)")
val,unsafe=getValFromCell(m.group("value"))
T1=m.group("T1")
finst=finsts[index]
if (mymolecule,mymethod) in datacls:
data=datacls[(mymolecule,mymethod)]
else:
data=AbsDataFile()
data.molecule=mymolecule
data.method=mymethod
infin=mytrans.split("\rightarrow")
for i,item in enumerate(infin):
m=re.match(r"^(?P<number>\d)\\[,:;\s]\s*\^(?P<multiplicity>\d)(?P<sym>\S*)",item)
infin[i]=state(m.group("number"),m.group("multiplicity"),m.group("sym"))
data.excitations.append(excitationValue(infin[0],infin[0],val,type=mytrans[1],isUnsafe=unsafe,T1=T1))
for value in datacls.values():
datalist.append(value)
elif format==Format.TBE:
subtablesindex=getSubtableIndex(table)
for first, last in subtablesindex: