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https://github.com/LCPQ/QUESTDB_website.git
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Change getSubtableIndex to getSubtableRange
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dda226d8b6
commit
76559d21db
@ -33,18 +33,18 @@ def datafileSelector(dataType):
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}
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}
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return switcher[dataType]
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return switcher[dataType]
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def getSubtableIndex(table,firstindex=2,column=0,count=1):
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def getSubtableRange(table,firstindex=2,column=0,count=1):
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subtablesindex=list()
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subtablesRange=list()
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i=firstindex+count
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i=firstindex+count
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while i<np.size(table,0):
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while i<np.size(table,0):
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if str(table[i,column])!="":
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if str(table[i,column])!="":
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subtablesindex.append((firstindex,i-1))
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subtablesRange.append(range(firstindex,i))
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firstindex=i
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firstindex=i
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i+=count
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i+=count
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else:
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else:
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i+=1
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i+=1
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subtablesindex.append((firstindex,np.size(table,0)))
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subtablesRange.append(range(firstindex,np.size(table,0)))
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return subtablesindex
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return subtablesRange
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class dataFileBase(object):
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class dataFileBase(object):
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def __init__(self):
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def __init__(self):
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@ -1,19 +1,19 @@
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from ..formatHandlerBase import formatHandlerBase
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from ..formatHandlerBase import formatHandlerBase
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from ..formatName import formatName
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from ..formatName import formatName
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from ...data import dataFileBase,DataType,method,excitationValue,datafileSelector,getSubtableIndex
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from ...data import dataFileBase,DataType,method,excitationValue,datafileSelector,getSubtablesRange
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from ...utils import getValFromCell, checkFloat
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from ...utils import getValFromCell, checkFloat
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@formatName("TBE")
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@formatName("TBE")
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class TBEHandler(formatHandlerBase):
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class TBEHandler(formatHandlerBase):
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def readFromTable(self,table):
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def readFromTable(self,table):
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datalist=list()
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datalist=list()
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subtablesindex=getSubtableIndex(table)
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subtablesRange=getSubtablesRange(table)
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for first, last in subtablesindex:
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for myrange in subtablesRange:
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datacls=dict()
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datacls=dict()
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mymolecule=str(table[first,0])
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mymolecule=str(table[myrange[0],0])
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initialState=self.TexOps.initialStates[mymolecule]
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initialState=self.TexOps.initialStates[mymolecule]
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mymethod=(method("TBE(FC)"),method("TBE"))
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mymethod=(method("TBE(FC)"),method("TBE"))
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finsts=dataFileBase.convertState(table[first:last+1,1],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[first:last+1,]):
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for index,row in enumerate(table[myrange,]):
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oscilatorForces=checkFloat(str(row[2]))
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oscilatorForces=checkFloat(str(row[2]))
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T1 = checkFloat(str(row[3]))
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T1 = checkFloat(str(row[3]))
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val,unsafe = getValFromCell(row[4])
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val,unsafe = getValFromCell(row[4])
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@ -1,22 +1,22 @@
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from ..formatHandlerBase import formatHandlerBase
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from ..formatHandlerBase import formatHandlerBase
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from ..formatName import formatName
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from ..formatName import formatName
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from ...data import dataFileBase,DataType,method,excitationValue,datafileSelector,getSubtableIndex
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from ...data import dataFileBase,DataType,method,excitationValue,datafileSelector,getSubtablesRange
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from ...utils import getValFromCell
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from ...utils import getValFromCell
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import numpy as np
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import numpy as np
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@formatName("column")
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@formatName("column")
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class columnHandler(formatHandlerBase):
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class columnHandler(formatHandlerBase):
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def readFromTable(self,table):
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def readFromTable(self,table):
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datalist=list()
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datalist=list()
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subtablesindex=getSubtableIndex(table)
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subtablesRange=getSubtablesRange(table)
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for first, last in subtablesindex:
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for myrange in subtablesRange:
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for col in range(2,np.size(table,1)):
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for col in range(2,np.size(table,1)):
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datacls=dict()
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datacls=dict()
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col=table[:,col]
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col=table[:,col]
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mymolecule=str(table[first,0])
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mymolecule=str(table[myrange[0],0])
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initialState=self.TexOps.initialStates[mymolecule]
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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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mymethod=method(str(col[1]),str(col[0]))
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finsts=dataFileBase.convertState(table[first:last+1,1],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[first:last+1]):
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for index,cell in enumerate(col[myrange]):
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if str(cell)!="":
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if str(cell)!="":
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val,unsafe=getValFromCell(cell)
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val,unsafe=getValFromCell(cell)
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finst=finsts[index]
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finst=finsts[index]
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@ -1,6 +1,6 @@
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from ..formatHandlerBase import formatHandlerBase
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from ..formatHandlerBase import formatHandlerBase
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from ..formatName import formatName
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from ..formatName import formatName
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from ...data import dataFileBase,DataType,method,excitationValue,datafileSelector,AbsDataFile,getSubtableIndex
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from ...data import dataFileBase,DataType,method,excitationValue,datafileSelector,AbsDataFile,getSubtablesRange
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from ...LaTeX import newCommand
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from ...LaTeX import newCommand
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import re
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import re
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from ...utils import getValFromCell
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from ...utils import getValFromCell
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@ -8,13 +8,13 @@ from ...utils import getValFromCell
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class doubleColumnHandler(formatHandlerBase):
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class doubleColumnHandler(formatHandlerBase):
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def readFromTable(self,table):
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def readFromTable(self,table):
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datacls=dict()
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datacls=dict()
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subtablesMol=getSubtableIndex(table)
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subtablesMol=getSubtablesRange(table)
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for firstMol, lastMol in subtablesMol:
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for rangeMol in subtablesMol:
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mymolecule=str(table[firstMol,0])
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mymolecule=str(table[rangeMol[0],0])
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moltable=table[firstMol:lastMol+1,:]
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moltable=table[rangeMol,:]
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subtablestrans=getSubtableIndex(moltable,firstindex=0,column=1,count=2)
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subtablestrans=getSubtablesRange(moltable,firstindex=0,column=1,count=2)
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for firstTrans,lastTrans in subtablestrans:
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for rangeTrans in subtablestrans:
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mytrans=moltable[firstTrans:lastTrans+1,:]
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mytrans=moltable[rangeTrans,:]
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mytransdesc=mytrans[0:2,1]
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mytransdesc=mytrans[0:2,1]
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for i in range(2):
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for i in range(2):
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try:
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try:
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@ -1,6 +1,6 @@
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from ..formatHandlerBase import formatHandlerBase
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from ..formatHandlerBase import formatHandlerBase
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from ..formatName import formatName
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from ..formatName import formatName
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from ...data import dataFileBase,DataType,method,excitationValue,datafileSelector,getSubtableIndex,AbsDataFile,state
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from ...data import dataFileBase,DataType,method,excitationValue,datafileSelector,getSubtablesRange,AbsDataFile,state
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from ...utils import getValFromCell, checkFloat
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from ...utils import getValFromCell, checkFloat
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from ...LaTeX import newCommand
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from ...LaTeX import newCommand
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from TexSoup import TexSoup
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from TexSoup import TexSoup
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@ -9,12 +9,12 @@ import re
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class doubleTBEHandler(formatHandlerBase):
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class doubleTBEHandler(formatHandlerBase):
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def readFromTable(self,table):
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def readFromTable(self,table):
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datalist=list()
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datalist=list()
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subtablesMol=getSubtableIndex(table)
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subtablesMol=getSubtablesRange(table)
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for firstMol, lastMol in subtablesMol:
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for rangeMol in subtablesMol:
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data=AbsDataFile()
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data=AbsDataFile()
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data.molecule=str(table[firstMol,0])
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data.molecule=str(table[rangeMol,0])
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data.method=method("TBE","CBS")
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data.method=method("TBE","CBS")
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for mytrans in table[firstMol:lastMol+1]:
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for mytrans in table[rangeMol]:
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try:
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try:
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mathsoup=TexSoup(mytrans[1])
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mathsoup=TexSoup(mytrans[1])
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except:
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except:
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@ -1,6 +1,6 @@
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from ..formatHandlerBase import formatHandlerBase
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from ..formatHandlerBase import formatHandlerBase
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from ..formatName import formatName
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from ..formatName import formatName
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from ...data import dataFileBase,DataType,method,excitationValue,datafileSelector,getSubtableIndex,state
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from ...data import dataFileBase,DataType,method,excitationValue,datafileSelector,getSubtablesRange,state
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from ...utils import getValFromCell
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from ...utils import getValFromCell
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from TexSoup import TexSoup,TexNode
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from TexSoup import TexSoup,TexNode
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from ...LaTeX import newCommand
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from ...LaTeX import newCommand
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@ -10,10 +10,10 @@ import json
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class exoticColumnHandler(formatHandlerBase):
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class exoticColumnHandler(formatHandlerBase):
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def readFromTable(self,table):
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def readFromTable(self,table):
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datalist=list()
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datalist=list()
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subtablesindex=getSubtableIndex(table)
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subtablesRange=getSubtablesRange(table)
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for first, last in subtablesindex:
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for myrange in subtablesRange:
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valDic=dict()
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valDic=dict()
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mymolecule=str(table[first,0])
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mymolecule=str(table[myrange[0],0])
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initialState=self.TexOps.initialStates[mymolecule]
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initialState=self.TexOps.initialStates[mymolecule]
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for col in range(2,np.size(table,1)):
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for col in range(2,np.size(table,1)):
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col=table[:,col]
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col=table[:,col]
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@ -33,8 +33,8 @@ class exoticColumnHandler(formatHandlerBase):
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methodname=str(methtex)
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methodname=str(methtex)
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mymethod=method(methodname,basis)
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mymethod=method(methodname,basis)
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methkey=json.dumps(mymethod.__dict__)
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methkey=json.dumps(mymethod.__dict__)
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finsts=dataFileBase.convertState(table[first:last+1,1],initialState,default=self.TexOps.default,commands=self.commands)
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finsts=dataFileBase.convertState(table[myrange,1],initialState,default=self.TexOps.default,commands=self.commands)
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for index,cell in enumerate(col[first:last+1]):
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for index,cell in enumerate(col[myrange]):
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if str(cell)!="":
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if str(cell)!="":
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val,unsafe=getValFromCell(cell)
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val,unsafe=getValFromCell(cell)
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finst=finsts[index]
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finst=finsts[index]
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