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33 lines
1.2 KiB
Python
33 lines
1.2 KiB
Python
from ..formatHandlerBase import formatHandlerBase
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from ..formatName import formatName
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from ...data import dataFileBase,DataType,method,excitationValue,datafileSelector
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from ...utils import getValFromCell
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import numpy as np
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@formatName("line")
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class lineHandler(formatHandlerBase):
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def readFromTable(self,table):
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datalist=list()
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for col in range(1,np.size(table,1)):
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col=table[:,col]
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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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datacls=dict()
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for index,cell in enumerate(col[3:]):
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if str(cell)!="":
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val,unsafe=getValFromCell(cell)
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finst=finsts[index]
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dt=finst[1]
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if dt in datacls:
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data=datacls[dt]
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else:
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cl=datafileSelector(dt)
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data=cl()
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datacls[dt]=data
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data.molecule=mymolecule
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data.method=mymethod
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data.excitations.append(excitationValue(initialState,finst[0],val,type=finst[2],isUnsafe=unsafe))
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for value in datacls.values():
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datalist.append(value)
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return datalist |