def getBulkModDictsFromCalcObjDict(calcObjsDict):
allBModDicts = dict()
for key, currObjs in calcObjsDict.items():
currOutFiles = [x.outFilePath for x in currObjs]
currBModDict = fitBMod.getBulkModFromOutFilesAseWrapper(currOutFiles)
allBModDicts[key] = currBModDict
return allBModDicts
def fitEos(self, eos, fitBlankIfError=False):
bmodDict = dict()
for key in self.calcObjDict.keys():
outPaths = self.calcObjDict[key].outPaths
try:
currBModDict = fitBMod.getBulkModFromOutFilesAseWrapper(
outPaths, eos=eos)
bmodDict[key] = currBModDict
except RuntimeError as e:
if fitBlankIfError:
bmodDict[key] = self.appendBlankEos()
else:
raise (e)
self.fittedEos = bmodDict
def standardGetEosOneStruct(self:"eos WorkFlow class", structKey):
outFilePaths = [x.replace(".in",".out") for x in self._inpFilePathsDict[structKey]]
with contextlib.redirect_stdout(None):
fittedEos = fitBMod.getBulkModFromOutFilesAseWrapper(outFilePaths, eosModel=self._eosModel)
return fittedEos
def _getEosDictFromFilePaths(filePaths,eos): outDict = fitBMod.getBulkModFromOutFilesAseWrapper(filePaths, eos=eos) return outDict
def getBulkModFromOutFilesAseWrapper(outFileList, **kwargs):
return fitBMod.getBulkModFromOutFilesAseWrapper(outFileList, **kwargs)