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synced 2024-08-25 05:31:51 +02:00
self.Command is now uppercase
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@ -12,7 +12,7 @@ class TBEHandler(formatHandlerBase):
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mymolecule=str(table[myrange[0],0])
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initialState=self.TexOps.initialStates[mymolecule]
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mymethod=(method("TBE","aug-cc-pVTZ"),method("TBE(Full)","CBS"))
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finsts=dataFileBase.convertState(table[myrange,1],initialState,default=self.TexOps.defaultType,commands=self.commands)
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finsts=dataFileBase.convertState(table[myrange,1],initialState,default=self.TexOps.defaultType,commands=self.Commands)
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for index,row in enumerate(table[myrange,]):
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oscilatorForces=checkFloat(str(row[2]))
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T1 = checkFloat(str(row[3]))
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@ -15,7 +15,7 @@ class columnHandler(formatHandlerBase):
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mymolecule=str(table[myrange[0],0])
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initialState=self.TexOps.initialStates[mymolecule]
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mymethod=method(str(col[1]),str(col[0]))
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finsts=dataFileBase.convertState(table[myrange,1],initialState,default=self.TexOps.defaultType,commands=self.commands)
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finsts=dataFileBase.convertState(table[myrange,1],initialState,default=self.TexOps.defaultType,commands=self.Commands)
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for index,cell in enumerate(col[myrange]):
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if str(cell)!="":
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val,unsafe=getValFromCell(cell)
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@ -21,7 +21,7 @@ class doubleColumnHandler(formatHandlerBase):
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mytransdesc=mytrans[0:2,1]
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for i in range(2):
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mathsoup=extractMath(mytransdesc[i],Soup=True,commands=self.commands)
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mathsoup=extractMath(mytransdesc[i],Soup=True,commands=self.Commands)
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mytransdesc[i]=str(mathsoup)
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for colindex in range(3,np.size(table,1)):
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col=mytrans[:,colindex]
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@ -15,7 +15,7 @@ class doubleTBEHandler(formatHandlerBase):
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data.molecule=str(table[rangeMol[0],0])
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data.method=method("TBE","CBS")
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for mytrans in table[rangeMol]:
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mathsoup=extractMath(mytrans[1],Soup=True,commands=self.commands)
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mathsoup=extractMath(mytrans[1],Soup=True,commands=self.Commands)
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mytransdesc=str(mathsoup)
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infin=mytransdesc.split(r"\rightarrow")
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for i,item in enumerate(infin):
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@ -21,19 +21,19 @@ class exoticColumnHandler(formatHandlerBase):
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mymethcell=list(col[1])
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if isinstance(mymethcell[0],TexNode) and mymethcell[0].name=="$":
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kindSoup=TexSoup("".join(list(mymethcell[0].expr.all)))
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newCommand.runAll(kindSoup,self.commands)
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newCommand.runAll(kindSoup,self.Commands)
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kind=str(kindSoup)
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methodnameSoup=TexSoup(mymethcell[1].value)
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newCommand.runAll(methodnameSoup,self.commands)
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newCommand.runAll(methodnameSoup,self.Commands)
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methodname=str(methodnameSoup)
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else:
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kind=""
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methtex=col[1]
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newCommand.runAll(methtex,self.commands)
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newCommand.runAll(methtex,self.Commands)
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methodname=str(methtex)
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mymethod=method(methodname,basis)
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methkey=json.dumps(mymethod.__dict__)
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finsts=dataFileBase.convertState(table[myrange,1],initialState,default=self.TexOps.defaultType,commands=self.commands)
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finsts=dataFileBase.convertState(table[myrange,1],initialState,default=self.TexOps.defaultType,commands=self.Commands)
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for index,cell in enumerate(col[myrange]):
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if str(cell)!="":
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val,unsafe=getValFromCell(cell)
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@ -62,20 +62,20 @@ class fromXLSToLaTeXHandler(formatHandlerBase):
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continue
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if isinstance(mymethcell[0],TexNode) and mymethcell[0].name=="$":
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kindSoup=TexSoup("".join(list(mymethcell[0].expr.all)))
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newCommand.runAll(kindSoup,self.commands)
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newCommand.runAll(kindSoup,self.Commands)
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kind=str(kindSoup)
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methodnameSoup=TexSoup(mymethcell[1].value)
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newCommand.runAll(methodnameSoup,self.commands)
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newCommand.runAll(methodnameSoup,self.Commands)
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methodname=str(methodnameSoup)
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else:
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kind=""
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methtex=col[0]
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newCommand.runAll(methtex,self.commands)
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newCommand.runAll(methtex,self.Commands)
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methodname=str(methtex)
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mymethod=method(methodname,basis)
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methkey=json.dumps(mymethod.__dict__)
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mathstates=[GetFullState(table[i,4],VR=str(table[i,6]),typeAcronym=str(table[i,7]),Soup=True) for i in myrange]
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finsts=dataFileBase.convertState(mathstates,initialState,default=self.TexOps.defaultType,commands=self.commands)
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finsts=dataFileBase.convertState(mathstates,initialState,default=self.TexOps.defaultType,commands=self.Commands)
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for index,cell in enumerate(col[myrange]):
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if str(cell)!="":
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val=str(cell)
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@ -12,7 +12,7 @@ class lineHandler(formatHandlerBase):
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mymolecule=str(col[0])
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mymethod=method(str(col[2]),str(col[1]))
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initialState=self.TexOps.initialStates[mymolecule]
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finsts=dataFileBase.convertState(table[3:,0],initialState,default=self.TexOps.defaultType,commands=self.commands)
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finsts=dataFileBase.convertState(table[3:,0],initialState,default=self.TexOps.defaultType,commands=self.Commands)
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datacls=dict()
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for index,cell in enumerate(col[3:]):
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if str(cell)!="":
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@ -2,7 +2,7 @@ from abc import ABCMeta, abstractmethod
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class formatHandlerBase(object, metaclass=ABCMeta):
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def __init__(self,TexOps, commands=[]):
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self.TexOps=TexOps
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self.commands=commands
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self.Commands=commands
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@abstractmethod
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def readFromTable(self,table):
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raise NotImplementedError()
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