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mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-12-25 05:43:46 +01:00
This commit is contained in:
Mickaël Véril 2020-02-28 10:00:42 +01:00
parent 4033f559fc
commit b663aa9a3b

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@ -141,7 +141,7 @@ class dataFileBase(object):
for first, last in subtablesindex: for first, last in subtablesindex:
mymolecule=table[first,0] mymolecule=table[first,0]
mytrans=table[first:first+1,1] mytrans=table[first:first+1,1]
for i,mystr in enumerate(mytrans)): for i,mystr in enumerate(mytrans):
mystr=mytrans[i] mystr=mytrans[i]
try: try:
mathsoup=TexSoup(mystr) mathsoup=TexSoup(mystr)
@ -170,7 +170,7 @@ class dataFileBase(object):
for i,item in enumerate(infin): for i,item in enumerate(infin):
m=re.match(r"^(?P<number>\d)\\[,:;\s]\s*\^(?P<multiplicity>\d)(?P<sym>\S*)",item) 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")) 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)) data.excitations.append(excitationValue(infin[0],infin[1],val,type=mytrans[1],isUnsafe=unsafe,T1=T1))
for value in datacls.values(): for value in datacls.values():
datalist.append(value) datalist.append(value)
elif format==Format.TBE: elif format==Format.TBE: