from ..formatHandlerBase import formatHandlerBase from ..formatName import formatName from ...data import dataFileBase,DataType,method,excitationValue,datafileSelector,getSubtablesRange,state from ...utils import getValFromCell from TexSoup import TexSoup,TexNode from ...LaTeX import newCommand import numpy as np import json @formatName("exoticColumn") class exoticColumnHandler(formatHandlerBase): def readFromTable(self,table): datalist=list() subtablesRange=getSubtablesRange(table) for myrange in subtablesRange: valDic=dict() mymolecule=str(table[myrange[0],0]) 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,self.Commands) kind=str(kindSoup) methodnameSoup=TexSoup(mymethcell[1].value) newCommand.runAll(methodnameSoup,self.Commands) methodname=str(methodnameSoup) else: kind="" methtex=col[1] newCommand.runAll(methtex,self.Commands) methodname=str(methtex) mymethod=method(methodname,basis) methkey=json.dumps(mymethod.__dict__) finsts=dataFileBase.convertState(table[myrange,1],initialState,default=self.TexOps.defaultType,commands=self.Commands) for index,cell in enumerate(col[myrange]): if str(cell)!="": val,unsafe=getValFromCell(cell) finst=finsts[index] dt=finst[1] if dt in valDic: dtDic=valDic[dt] else: dtDic=dict() valDic[dt]=dtDic if not methkey in dtDic: dtDic[methkey]=dict() dataDic=dtDic[methkey] exkey=(json.dumps(finst[0].__dict__,),finst[2]) if not exkey in dataDic: dataDic[exkey]=dict() if kind=='': dataDic[exkey][kind]=(val,unsafe) else: dataDic[exkey][kind]=val #data.excitations.append(excitationValue(initialState,finst[0],val,type=finst[2])) for dt,methdic in valDic.items(): for methstring,exdic in methdic.items(): data=datafileSelector(dt)() data.molecule=mymolecule methdic=json.loads(methstring) data.method=method(methdic["name"],methdic["basis"]) for exstr,values in exdic.items(): stDict=json.loads(exstr[0]) ty=exstr[1] st=state(stDict["number"],stDict["multiplicity"],stDict["symmetry"]) T1=values["\\%T_1"] if "\\%T_1" in values else None oF= values["f"] if "f" in values else None val,unsafe=values[""] data.excitations.append(excitationValue(initialState,st,val,type=ty,T1=T1,isUnsafe=unsafe,oscilatorForces=oF)) datalist.append(data) return datalist