def _checkNewCTFs(self, micSet):
""" Check for already computed CTF and update the output set. """
newCTFs = []
ctfDict = {}
ctfSet = SetOfCTF(filename=self._getPath('ctfs.sqlite'))
ctfSet.setMicrographs(self.inputMicrographs.get())
for ctf in ctfSet:
ctfDict[ctf.getObjId()] = True
if ctfDict: # it means there are previous ctfs computed
ctfSet.loadAllProperties()
if ctfSet.getSize():
ctfSet.enableAppend()
else:
ctfSet.setStreamState(ctfSet.STREAM_OPEN)
for micFn, micDir, mic in self._iterMicrographs(micSet):
if (exists(self._getMicrographDone(micDir))
and not mic.getObjId() in ctfDict):
ctf = self._createCtfModel(mic)
ctfSet.append(ctf)
newCTFs.append(mic.getObjId())
return ctfSet, newCTFs
def testCtfdiscrepancyWorkflow(self):
# create one micrograph set
fnMicSet = self.proj.getTmpPath("mics.sqlite")
fnMic = self.proj.getTmpPath("mic.mrc")
mic = Micrograph()
mic.setFileName(fnMic)
micSet = SetOfMicrographs(filename=fnMicSet)
# create two CTFsets
fnCTF1 = self.proj.getTmpPath("ctf1.sqlite")
fnCTF2 = self.proj.getTmpPath("ctf2.sqlite")
ctfSet1 = SetOfCTF(filename=fnCTF1)
ctfSet2 = SetOfCTF(filename=fnCTF2)
# create one fake micrographs image
projSize = 32
img = xmipp.Image()
img.setDataType(xmipp.DT_FLOAT)
img.resize(projSize, projSize)
img.write(fnMic)
# fill the sets
for i in range(1, 4):
mic = Micrograph()
mic.setFileName(fnMic)
micSet.append(mic)
defocusU = 1000+10*i
defocusV = 1000+i
defocusAngle = i*10
psdFile = "psd_1%04d" % i
ctf = self._getCTFModel(defocusU,
defocusV,
defocusAngle,
psdFile)
ctf.setMicrograph(mic)
ctfSet1.append(ctf)
defocusU = 1000+20*i
defocusV = 1000+i
defocusAngle = i*20
psdFile = "psd_2%04d" % i
ctf = self._getCTFModel(defocusU,
defocusV,
defocusAngle,
psdFile)
ctf.setMicrograph(mic)
ctfSet2.append(ctf)
ctfSet1.write()
ctfSet2.write()
micSet.write()
# import micrograph set
args = {'importFrom': ProtImportMicrographs.IMPORT_FROM_SCIPION,
'sqliteFile': fnMicSet,
'amplitudConstrast': 0.1,
'sphericalAberration': 2.,
'voltage': 100,
'samplingRate': 2.1
}
protMicImport = self.newProtocol(ProtImportMicrographs, **args)
protMicImport.setObjLabel('import micrographs from sqlite ')
self.launchProtocol(protMicImport)
# import ctfsets
protCTF1 = \
self.newProtocol(ProtImportCTF,
importFrom=ProtImportCTF.IMPORT_FROM_SCIPION,
filesPath=fnCTF1)
protCTF2 = \
self.newProtocol(ProtImportCTF,
importFrom=ProtImportCTF.IMPORT_FROM_SCIPION,
filesPath=fnCTF2)
protCTF1.inputMicrographs.set(protMicImport.outputMicrographs)
protCTF2.inputMicrographs.set(protMicImport.outputMicrographs)
protCTF1.setObjLabel('import ctfs from scipion_1 ')
protCTF2.setObjLabel('import ctfs from scipion_2 ')
self.launchProtocol(protCTF1)
self.launchProtocol(protCTF2)
# launch CTF discrepancy protocol
protCtfDiscrepancy = self.newProtocol(XmippProtCTFDiscrepancy)
protCtfDiscrepancy.inputCTF1.set(protCTF1.outputCTF)
protCtfDiscrepancy.inputCTF2.set(protCTF2.outputCTF)
protCtfDiscrepancy.setObjLabel('ctf discrepancy')
self.launchProtocol(protCtfDiscrepancy)
ctf0 = protCtfDiscrepancy.outputCTF.getFirstItem()
resolution = int(ctf0.getResolution())
defocusU = int(ctf0.getDefocusU())
self.assertEqual(resolution, 2)
self.assertEqual(defocusU, 1010)
def testCtfdiscrepancyWorkflow(self):
# create one micrograph set
fnMicSet = self.proj.getTmpPath("mics.sqlite")
fnMic = self.proj.getTmpPath("mic.mrc")
mic = Micrograph()
mic.setFileName(fnMic)
micSet = SetOfMicrographs(filename=fnMicSet)
# create two CTFsets
fnCTF1 = self.proj.getTmpPath("ctf1.sqlite")
fnCTF2 = self.proj.getTmpPath("ctf2.sqlite")
ctfSet1 = SetOfCTF(filename=fnCTF1)
ctfSet2 = SetOfCTF(filename=fnCTF2)
# create one fake micrographs image
projSize = 32
img = xmipp.Image()
img.setDataType(xmipp.DT_FLOAT)
img.resize(projSize, projSize)
img.write(fnMic)
# fill the sets
for i in range(1, 4):
mic = Micrograph()
mic.setFileName(fnMic)
micSet.append(mic)
defocusU = 1000 + 10 * i
defocusV = 1000 + i
defocusAngle = i * 10
psdFile = "psd_1%04d" % i
ctf = self._getCTFModel(defocusU, defocusV, defocusAngle, psdFile)
ctf.setMicrograph(mic)
ctfSet1.append(ctf)
defocusU = 1000 + 20 * i
defocusV = 1000 + i
defocusAngle = i * 20
psdFile = "psd_2%04d" % i
ctf = self._getCTFModel(defocusU, defocusV, defocusAngle, psdFile)
ctf.setMicrograph(mic)
ctfSet2.append(ctf)
ctfSet1.write()
ctfSet2.write()
micSet.write()
# import micrograph set
args = {
'importFrom': ProtImportMicrographs.IMPORT_FROM_SCIPION,
'sqliteFile': fnMicSet,
'amplitudConstrast': 0.1,
'sphericalAberration': 2.,
'voltage': 100,
'samplingRate': 2.1
}
protMicImport = self.newProtocol(ProtImportMicrographs, **args)
protMicImport.setObjLabel('import micrographs from sqlite ')
self.launchProtocol(protMicImport)
# import ctfsets
protCTF1 = \
self.newProtocol(ProtImportCTF,
importFrom=ProtImportCTF.IMPORT_FROM_SCIPION,
filesPath=fnCTF1)
protCTF2 = \
self.newProtocol(ProtImportCTF,
importFrom=ProtImportCTF.IMPORT_FROM_SCIPION,
filesPath=fnCTF2)
protCTF1.inputMicrographs.set(protMicImport.outputMicrographs)
protCTF2.inputMicrographs.set(protMicImport.outputMicrographs)
protCTF1.setObjLabel('import ctfs from scipion_1 ')
protCTF2.setObjLabel('import ctfs from scipion_2 ')
self.launchProtocol(protCTF1)
self.launchProtocol(protCTF2)
# launch CTF discrepancy protocol
protCtfDiscrepancy = self.newProtocol(XmippProtCTFDiscrepancy)
protCtfDiscrepancy.inputCTF1.set(protCTF1.outputCTF)
protCtfDiscrepancy.inputCTF2.set(protCTF2.outputCTF)
protCtfDiscrepancy.setObjLabel('ctf discrepancy')
self.launchProtocol(protCtfDiscrepancy)
ctf0 = protCtfDiscrepancy.outputCTF.getFirstItem()
resolution = int(ctf0.getResolution())
defocusU = int(ctf0.getDefocusU())
self.assertEqual(resolution, 2)
self.assertEqual(defocusU, 1010)