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Fix undefined variables

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Mickaël Véril 2020-07-04 15:41:24 +02:00
parent 109ab8b0c5
commit 65bc85b76c
3 changed files with 13 additions and 11 deletions
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2
tools/lib/formats/default/TBEHandler.py
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@ -12,7 +12,7 @@ class TBEHandler(formatHandlerBase):
mymolecule=str(table[first,0])
initialState=self.TexOps.initialStates[mymolecule]
mymethod=(method("TBE(FC)"),method("TBE"))
finsts=dataFileBase.convertState(table[first:last+1,1],initialState,default=TexOps.defaultType,commands=commands)
finsts=dataFileBase.convertState(table[first:last+1,1],initialState,default=self.TexOps.defaultType,commands=self.commands)
for index,row in enumerate(table[first:last+1,]):
oscilatorForces=checkFloat(str(row[2]))
T1 = checkFloat(str(row[3]))

5
tools/lib/formats/default/columnHandler.py
View File

@ -2,6 +2,7 @@ from ..formatHandlerBase import formatHandlerBase
from ..formatName import formatName
from ...data import dataFileBase,DataType,method,excitationValue,datafileSelector,getSubtableIndex
from ...utils import getValFromCell
import numpy as np
@formatName("column")
class columnHandler(formatHandlerBase):
def readFromTable(self,table):
@ -12,9 +13,9 @@ class columnHandler(formatHandlerBase):
datacls=dict()
col=table[:,col]
mymolecule=str(table[first,0])
initialState=TexOps.initialStates[mymolecule]
initialState=self.TexOps.initialStates[mymolecule]
mymethod=method(str(col[1]),str(col[0]))
finsts=dataFileBase.convertState(table[first:last+1,1],initialState,default=TexOps.defaultType,commands=commands)
finsts=dataFileBase.convertState(table[first:last+1,1],initialState,default=self.TexOps.defaultType,commands=self.commands)
for index,cell in enumerate(col[first:last+1]):
if str(cell)!="":
val,unsafe=getValFromCell(cell)

17
tools/lib/formats/default/exoticColumnHandler.py
View File

@ -1,9 +1,10 @@
from ..formatHandlerBase import formatHandlerBase
from ..formatName import formatName
from ...data import dataFileBase,DataType,method,excitationValue,datafileSelector,getSubtableIndex
from ...data import dataFileBase,DataType,method,excitationValue,datafileSelector,getSubtableIndex,state
from ...utils import getValFromCell
from TexSoup import TexSoup
from TexSoup import TexSoup,TexNode
from ...LaTeX import newCommand
import numpy as np
import json
@formatName("exoticColumn")
class exoticColumnHandler(formatHandlerBase):
@ -13,26 +14,26 @@ class exoticColumnHandler(formatHandlerBase):
for first, last in subtablesindex:
valDic=dict()
mymolecule=str(table[first,0])
initialState=TexOps.initialStates[mymolecule]
initialState=self.TexOps.initialStates[mymolecule]
for col in range(2,np.size(table,1)):
col=table[:,col]
basis=str(col[0])
mymethcell=list(col[1])
if isinstance(mymethcell[0],TexNode) and mymethcell[0].name=="$":
kindSoup=TexSoup("".join(list(mymethcell[0].expr.all)))
newCommand.runAll(kindSoup,commands)
newCommand.runAll(kindSoup,self.commands)
kind=str(kindSoup)
methodnameSoup=TexSoup(mymethcell[1].value)
newCommand.runAll(methodnameSoup,commands)
newCommand.runAll(methodnameSoup,self.commands)
methodname=str(methodnameSoup)
else:
kind=""
methtex=col[1]
newCommand.runAll(methtex,commands)
newCommand.runAll(methtex,self.commands)
methodname=str(methtex)
mymethod=method(methodname,basis)
methkey=json.dumps(mymethod.__dict__)
finsts=dataFileBase.convertState(table[first:last+1,1],initialState,default=TexOps.default,commands=commands)
finsts=dataFileBase.convertState(table[first:last+1,1],initialState,default=self.TexOps.default,commands=self.commands)
for index,cell in enumerate(col[first:last+1]):
if str(cell)!="":
val,unsafe=getValFromCell(cell)
@ -56,7 +57,7 @@ class exoticColumnHandler(formatHandlerBase):
#data.excitations.append(excitationValue(initialState,finst[0],val,type=finst[2]))
for dt,methdic in valDic.items():
for methstring,exdic in methdic.items():
data=switcher[dt]()
data=datafileSelector[dt]()
data.molecule=mymolecule
methdic=json.loads(methstring)
data.method=method(methdic["name"],methdic["basis"])