def importCTFStep(self, importFrom): """ Copy ctfs matching the filename pattern. """ ci = self.getImportClass() inputMics = self.inputMicrographs.get() ctfSet = self._createSetOfCTF() ctfSet.setMicrographs(inputMics) outputMics = self._createSetOfMicrographs() SetOfMicrographs.copyInfo(outputMics, inputMics) createOutputMics = False for mic in inputMics: for i, (fileName, fileId) in enumerate(self.iterFiles()): #TODO: Define how to match mics and ctf files (temporary solution is to expect micname inside ctf file name) if removeBaseExt(mic.getFileName()) in removeBaseExt(fileName): ctf = ci.importCTF(mic, fileName) ctfSet.append(ctf) outputMics.append(mic) break else: # If not CTF is found for a micrograph remove it from output mics self.warning("CTF for micrograph id %d was not found. Removed from set of micrographs." % mic.getObjId()) createOutputMics = True self._defineOutputs(outputCTF=ctfSet) # If some of the micrographs had not ctf a subset of micrographs have been produced if createOutputMics: self._defineOutputs(outputMicrographs=outputMics) self._defineCtfRelation(outputMics, ctfSet) else: self._defineCtfRelation(inputMics, ctfSet)
def _createSubSetFromMicrographsTiltPair(self, micrographsTiltPair): """ Create a subset of Micrographs Tilt Pair. """ output = MicrographsTiltPair( filename=self._getPath('micrographs_pairs.sqlite')) modifiedSet = MicrographsTiltPair(filename=self._dbName, prefix=self._dbPrefix) inputU = micrographsTiltPair.getUntilted() inputT = micrographsTiltPair.getTilted() outputU = SetOfMicrographs( filename=self._getPath('mics_untilted.sqlite')) outputT = SetOfParticles(filename=self._getPath('mics_tilted.sqlite')) outputU.copyInfo(inputU) outputT.copyInfo(inputT) for micPairI in modifiedSet: untilted = micPairI.getUntilted() tilted = micPairI.getTilted() if micPairI.isEnabled(): micPairO = TiltPair() micPairO.setUntilted(untilted) micPairO.setTilted(tilted) output.append(micPairO) outputU.append(untilted) outputT.append(tilted) output.setUntilted(outputU) output.setTilted(outputT) # Register outputs outputDict = {'outputMicrographsTiltPair': output} self._defineOutputs(**outputDict) self._defineTransformRelation(micrographsTiltPair, output) return output
def _createSubSetFromMicrographsTiltPair(self, micrographsTiltPair): """ Create a subset of Micrographs Tilt Pair. """ output = MicrographsTiltPair(filename=self._getPath('micrographs_pairs.sqlite')) print "self._dbName=%s" % self._dbName modifiedSet = MicrographsTiltPair(filename=self._dbName, prefix=self._dbPrefix) inputU = micrographsTiltPair.getUntilted() inputT = micrographsTiltPair.getTilted() outputU = SetOfMicrographs(filename=self._getPath('mics_untilted.sqlite')) outputT = SetOfParticles(filename=self._getPath('mics_tilted.sqlite')) outputU.copyInfo(inputU) outputT.copyInfo(inputT) for micPairI in modifiedSet: untilted = micPairI.getUntilted() tilted = micPairI.getTilted() if micPairI.isEnabled(): micPairO = TiltPair() micPairO.setUntilted(untilted) micPairO.setTilted(tilted) output.append(micPairO) outputU.append(untilted) outputT.append(tilted) output.setUntilted(outputU) output.setTilted(outputT) # Register outputs outputDict = {'outputMicrographsTiltPair': output} self._defineOutputs(**outputDict) self._defineTransformRelation(micrographsTiltPair, output) return output
def importCTFStep(self, importFrom): """ Copy ctfs matching the filename pattern. """ ci = self.getImportClass() inputMics = self.inputMicrographs.get() ctfSet = self._createSetOfCTF() ctfSet.setMicrographs(inputMics) outputMics = self._createSetOfMicrographs() SetOfMicrographs.copyInfo(outputMics, inputMics) createOutputMics = False files = [f for f, _ in self.iterFiles()] n = len(files) if n == 0: raise Exception("No files where found in path: '%s'\n" "matching the pattern: '%s'" % (self.filesPath, self.filesPattern)) print "Matching files: ", len(files) def _getMicCTF(mic): micName = mic.getMicName() micBase = removeBaseExt(mic.getFileName()) for fileName, fileId in self.iterFiles(): if (fileId == mic.getObjId() or micBase in fileName or micName in fileName): return ci.importCTF(mic, fileName) return None # Check if the CTF import class has a method to retrieve the CTF # from a given micrograph. If not, we will try to associated based # on matching the filename or id getMicCTF = getattr(ci, 'getMicCTF', None) or _getMicCTF for mic in inputMics: ctf = getMicCTF(mic) if ctf is not None: ctfSet.append(ctf) outputMics.append(mic) else: # If CTF is not found for a micrograph remove it from output mics self.warning("CTF for micrograph id %d was not found. Removed " "from set of micrographs." % mic.getObjId()) createOutputMics = True self._defineOutputs(outputCTF=ctfSet) # If some of the micrographs had not ctf a subset of micrographs # have been produced if createOutputMics: self._defineOutputs(outputMicrographs=outputMics) self._defineCtfRelation(outputMics, ctfSet) else: self._defineCtfRelation(inputMics, ctfSet)
def writePosFilesStep(self): """ Write the pos file for each micrograph in metadata format (both untilted and tilted). """ writeSetOfCoordinates(self._getExtraPath(), self.inputCoords.getUntilted(), scale=self.getBoxScale()) writeSetOfCoordinates(self._getExtraPath(), self.inputCoords.getTilted(), scale=self.getBoxScale()) # We need to find the mapping by micName (without ext) between the micrographs in # the SetOfCoordinates and the Other micrographs if self._micsOther(): micDict = {} # create tmp set with all mics from coords set coordMics = SetOfMicrographs(filename=':memory:') coordMics.copyInfo(self.inputCoords.getUntilted().getMicrographs()) for micU, micT in izip( self.inputCoords.getUntilted().getMicrographs(), self.inputCoords.getTilted().getMicrographs()): micU.cleanObjId() micT.cleanObjId() coordMics.append(micU) coordMics.append(micT) for mic in coordMics: micBase = pwutils.removeBaseExt(mic.getFileName()) micPos = self._getExtraPath(micBase + ".pos") micDict[pwutils.removeExt(mic.getMicName())] = micPos # now match micDict and inputMics if any( pwutils.removeExt(mic.getMicName()) in micDict for mic in self.inputMics): micKey = lambda mic: pwutils.removeExt(mic.getMicName()) else: raise Exception( 'Could not match input micrographs and coordinates ' 'by micName.') for mic in self.inputMics: # micrograph from input (other) mk = micKey(mic) if mk in micDict: micPosCoord = micDict[mk] if exists(micPosCoord): micBase = pwutils.removeBaseExt(mic.getFileName()) micPos = self._getExtraPath(micBase + ".pos") if micPos != micPosCoord: self.info('Moving %s -> %s' % (micPosCoord, micPos)) pwutils.moveFile(micPosCoord, micPos)
def writePosFilesStep(self): """ Write the pos file for each micrograph in metadata format (both untilted and tilted). """ writeSetOfCoordinates(self._getExtraPath(), self.inputCoords.getUntilted(), scale=self.getBoxScale()) writeSetOfCoordinates(self._getExtraPath(), self.inputCoords.getTilted(), scale=self.getBoxScale()) # We need to find the mapping by micName (without ext) between the # micrographs in the SetOfCoordinates and the Other micrographs if self._micsOther(): micDict = {} # create tmp set with all mics from coords set coordMics = SetOfMicrographs(filename=':memory:') coordMics.copyInfo(self.inputCoords.getUntilted().getMicrographs()) for micU, micT in izip(self.inputCoords.getUntilted().getMicrographs(), self.inputCoords.getTilted().getMicrographs()): micU.cleanObjId() micT.cleanObjId() coordMics.append(micU) coordMics.append(micT) for mic in coordMics: micBase = pwutils.removeBaseExt(mic.getFileName()) micPos = self._getExtraPath(micBase + ".pos") micDict[pwutils.removeExt(mic.getMicName())] = micPos # now match micDict and inputMics if any(pwutils.removeExt(mic.getMicName()) in micDict for mic in self.inputMics): micKey = lambda mic: pwutils.removeExt(mic.getMicName()) else: raise Exception('Could not match input micrographs and coordinates ' 'by micName.') for mic in self.inputMics: # micrograph from input (other) mk = micKey(mic) if mk in micDict: micPosCoord = micDict[mk] if exists(micPosCoord): micBase = pwutils.removeBaseExt(mic.getFileName()) micPos = self._getExtraPath(micBase + ".pos") if micPos != micPosCoord: self.info('Moving %s -> %s' % (micPosCoord, micPos)) pwutils.moveFile(micPosCoord, micPos)
def importCTFStep(self, importFrom): """ Copy ctfs matching the filename pattern. """ ci = self.getImportClass() inputMics = self.inputMicrographs.get() ctfSet = self._createSetOfCTF() ctfSet.setMicrographs(inputMics) outputMics = self._createSetOfMicrographs() SetOfMicrographs.copyInfo(outputMics, inputMics) createOutputMics = False files = [f for f, _ in self.iterFiles()] n = len(files) if n == 0: raise Exception("No files where found in path: '%s'\n" "matching the pattern: '%s'" % (self.filesPath, self.filesPattern)) print "Matching files: ", len(files) for mic in inputMics: micName = mic.getMicName() micBase = removeBaseExt(mic.getFileName()) for fileName, fileId in self.iterFiles(): if (fileId == mic.getObjId() or micBase in fileName or micName in fileName): ctf = ci.importCTF(mic, fileName) ctfSet.append(ctf) outputMics.append(mic) break else: # If not CTF is found for a micrograph remove it from output mics self.warning( "CTF for micrograph id %d was not found. Removed from set of micrographs." % mic.getObjId()) createOutputMics = True self._defineOutputs(outputCTF=ctfSet) # If some of the micrographs had not ctf a subset of micrographs have been produced if createOutputMics: self._defineOutputs(outputMicrographs=outputMics) self._defineCtfRelation(outputMics, ctfSet) else: self._defineCtfRelation(inputMics, ctfSet)
def importCTFStep(self, importFrom): """ Copy ctfs matching the filename pattern. """ ci = self.getImportClass() inputMics = self.inputMicrographs.get() ctfSet = self._createSetOfCTF() ctfSet.setMicrographs(inputMics) outputMics = self._createSetOfMicrographs() SetOfMicrographs.copyInfo(outputMics, inputMics) createOutputMics = False files = [f for f, _ in self.iterFiles()] n = len(files) if n == 0: raise Exception("No files where found in path: '%s'\n" "matching the pattern: '%s'" % (self.filesPath, self.filesPattern)) print "Matching files: ", len(files) for mic in inputMics: micName = mic.getMicName() micBase = removeBaseExt(mic.getFileName()) for fileName, fileId in self.iterFiles(): if (fileId == mic.getObjId() or micBase in fileName or micName in fileName): ctf = ci.importCTF(mic, fileName) ctfSet.append(ctf) outputMics.append(mic) break else: # If not CTF is found for a micrograph remove it from output mics self.warning("CTF for micrograph id %d was not found. Removed from set of micrographs." % mic.getObjId()) createOutputMics = True self._defineOutputs(outputCTF=ctfSet) # If some of the micrographs had not ctf a subset of micrographs have been produced if createOutputMics: self._defineOutputs(outputMicrographs=outputMics) self._defineCtfRelation(outputMics, ctfSet) else: self._defineCtfRelation(inputMics, ctfSet)
def _createSubSetFromMicrographsTiltPair(self, micrographsTiltPair): """ Create a subset of Micrographs Tilt Pair. """ output = MicrographsTiltPair(filename=self._getPath('micrographs_pairs.sqlite')) modifiedSet = MicrographsTiltPair(filename=self._dbName, prefix=self._dbPrefix) inputU = micrographsTiltPair.getUntilted() inputT = micrographsTiltPair.getTilted() outputU = SetOfMicrographs(filename=self._getPath('mics_untilted.sqlite')) outputT = SetOfMicrographs(filename=self._getPath('mics_tilted.sqlite')) outputU.copyInfo(inputU) outputT.copyInfo(inputT) for micPair, u, t in izip(modifiedSet, inputU, inputT): if micPair.isEnabled(): output.append(micPair) outputU.append(u) outputT.append(t) output.setUntilted(outputU) output.setTilted(outputT) # Register outputs outputDict = {'outputMicrographsTiltPair': output} self._defineOutputs(**outputDict) self._defineTransformRelation(micrographsTiltPair, output) return output
class XmippProtExtractParticlesPairs(XmippProtExtractParticles): """Protocol to extract particles from a set of tilted pairs coordinates""" _label = 'extract particle pairs' def __init__(self, **args): XmippProtExtractParticles.__init__(self, **args) self.stepsExecutionMode = STEPS_PARALLEL # --------------------------- DEFINE param functions -------------------------------------------- def _defineParams(self, form): form.addSection(label='Input') form.addParam('inputCoordinatesTiltedPairs', PointerParam, important=True, label="Coordinates tilted pairs", pointerClass='CoordinatesTiltPair', help='Select the CoordinatesTiltPairs') form.addParam( 'downsampleType', EnumParam, choices=['same as picking', 'other'], default=0, important=True, label='Micrographs source', display=EnumParam.DISPLAY_HLIST, help='By default the particles will be extracted \n' 'from the micrographs used in the picking \n' 'step ( _same as picking_ option ). \n' 'If you select _other_ option, you must provide \n' 'a different set of micrographs to extract from.\n' '*Note*: In the _other_ case, ensure that provided \n' 'micrographs and coordinates are related \n' 'by micName or by micId. Difference in pixel size will \n' 'be handled automatically.') form.addParam( 'inputMicrographsTiltedPair', PointerParam, pointerClass='MicrographsTiltPair', condition='downsampleType != 0', important=True, label='Input tilt pair micrographs', help='Select the tilt pair micrographs from which to extract.') # downFactor should always be 1.0 or greater geOne = GE(1.0, error='Value should be greater or equal than 1.0') form.addParam( 'downFactor', FloatParam, default=1.0, validators=[geOne], label='Downsampling factor', help='Select a value greater than 1.0 to reduce the size ' 'of micrographs before extracting the particles. ' 'If 1.0 is used, no downsample is applied. ' 'Non-integer downsample factors are possible. ') form.addParam( 'boxSize', IntParam, default=0, label='Particle box size', validators=[Positive], help='In pixels. The box size is the size of the boxed particles, ' 'actual particles may be smaller than this. If you do downsampling ' 'after extraction, provide final box size here.') form.addParam( 'doBorders', BooleanParam, default=False, label='Fill pixels outside borders', help= 'Xmipp by default skips particles whose boxes fall outside of the micrograph borders.' 'Set this option to True if you want those pixels outside the borders to be filled with the closest pixel value available' ) form.addSection(label='Preprocess') form.addParam( 'doRemoveDust', BooleanParam, default=True, important=True, label='Dust removal (Recommended)', help= 'Sets pixels with unusually large values to random values from a Gaussian ' 'with zero-mean and unity-standard deviation.') form.addParam( 'thresholdDust', FloatParam, default=3.5, condition='doRemoveDust', expertLevel=LEVEL_ADVANCED, label='Threshold for dust removal', help= 'Pixels with a signal higher or lower than this value times the standard ' 'deviation of the image will be affected. For cryo, 3.5 is a good value.' 'For high-contrast negative stain, the signal itself may be affected so ' 'that a higher value may be preferable.') form.addParam( 'doInvert', BooleanParam, default=None, label='Invert contrast', help= 'Invert the contrast if your particles are black over a white background.\n' 'Xmipp, Spider, Relion and Eman require white particles over a black background\n' 'Frealign (up to v9.07) requires black particles over a white background' ) form.addParam( 'doNormalize', BooleanParam, default=True, label='Normalize (Recommended)', help= 'It subtract a ramp in the gray values and normalizes so that in the ' 'background there is 0 mean and standard deviation 1.') form.addParam( 'normType', EnumParam, choices=['OldXmipp', 'NewXmipp', 'Ramp'], default=2, condition='doNormalize', expertLevel=LEVEL_ADVANCED, display=EnumParam.DISPLAY_COMBO, label='Normalization type', help='OldXmipp (mean(Image)=0, stddev(Image)=1). \n ' 'NewXmipp (mean(background)=0, stddev(background)=1) \n ' 'Ramp (subtract background+NewXmipp). \n ') form.addParam( 'backRadius', IntParam, default=-1, condition='doNormalize', label='Background radius', expertLevel=LEVEL_ADVANCED, help= 'Pixels outside this circle are assumed to be noise and their stddev ' 'is set to 1. Radius for background circle definition (in pix.). ' 'If this value is 0, then half the box size is used.') form.addParallelSection(threads=4, mpi=1) def _insertAllSteps(self): self._setupBasicProperties() # Write pos files for each micrograph firstStepId = self._insertFunctionStep('writePosFilesStep') # For each micrograph insert the steps, run in parallel deps = [] for mic in self.inputMics: localDeps = [firstStepId] fnLast = mic.getFileName() micName = pwutils.removeBaseExt(mic.getFileName()) def getMicTmp(suffix): return self._getTmpPath(micName + suffix) # Create a list with micrographs operations (programs in xmipp) and # the required command line parameters (except input/ouput files) micOps = [] # Check if it is required to downsample your micrographs downFactor = self.downFactor.get() if self.notOne(downFactor): fnDownsampled = getMicTmp("_downsampled.xmp") args = "-i %s -o %s --step %f --method fourier" micOps.append(('xmipp_transform_downsample', args % (fnLast, fnDownsampled, downFactor))) fnLast = fnDownsampled if self.doRemoveDust: fnNoDust = getMicTmp("_noDust.xmp") args = " -i %s -o %s --bad_pixels outliers %f" micOps.append(('xmipp_transform_filter', args % (fnLast, fnNoDust, self.thresholdDust))) fnLast = fnNoDust # TODO: implement CTF # Actually extract deps.append( self._insertFunctionStep('extractParticlesStep', mic.getObjId(), micName, None, fnLast, micOps, self.doInvert.get(), self._getNormalizeArgs(), self.doBorders.get(), prerequisites=localDeps)) metaDeps = self._insertFunctionStep('createMetadataImageStep', prerequisites=deps) # Insert step to create output objects self._insertFunctionStep('createOutputStep', prerequisites=[metaDeps]) # --------------------------- STEPS functions -------------------------------------------- def writePosFilesStep(self): """ Write the pos file for each micrograph in metadata format (both untilted and tilted). """ writeSetOfCoordinates(self._getExtraPath(), self.inputCoords.getUntilted(), scale=self.getBoxScale()) writeSetOfCoordinates(self._getExtraPath(), self.inputCoords.getTilted(), scale=self.getBoxScale()) # We need to find the mapping by micName (without ext) between the micrographs in # the SetOfCoordinates and the Other micrographs if self._micsOther(): micDict = {} # create tmp set with all mics from coords set coordMics = SetOfMicrographs(filename=':memory:') coordMics.copyInfo(self.inputCoords.getUntilted().getMicrographs()) for micU, micT in izip( self.inputCoords.getUntilted().getMicrographs(), self.inputCoords.getTilted().getMicrographs()): micU.cleanObjId() micT.cleanObjId() coordMics.append(micU) coordMics.append(micT) for mic in coordMics: micBase = pwutils.removeBaseExt(mic.getFileName()) micPos = self._getExtraPath(micBase + ".pos") micDict[pwutils.removeExt(mic.getMicName())] = micPos # now match micDict and inputMics if any( pwutils.removeExt(mic.getMicName()) in micDict for mic in self.inputMics): micKey = lambda mic: pwutils.removeExt(mic.getMicName()) else: raise Exception( 'Could not match input micrographs and coordinates ' 'by micName.') for mic in self.inputMics: # micrograph from input (other) mk = micKey(mic) if mk in micDict: micPosCoord = micDict[mk] if exists(micPosCoord): micBase = pwutils.removeBaseExt(mic.getFileName()) micPos = self._getExtraPath(micBase + ".pos") if micPos != micPosCoord: self.info('Moving %s -> %s' % (micPosCoord, micPos)) pwutils.moveFile(micPosCoord, micPos) def createMetadataImageStep(self): mdUntilted = md.MetaData() mdTilted = md.MetaData() # for objId in mdPairs: for uMic, tMic in izip(self.uMics, self.tMics): umicName = pwutils.removeBaseExt(uMic.getFileName()) fnMicU = self._getExtraPath(umicName + ".xmd") fnPosU = self._getExtraPath(umicName + ".pos") # Check if there are picked particles in these micrographs if pwutils.exists(fnMicU): mdMicU = md.MetaData(fnMicU) mdPosU = md.MetaData('particles@%s' % fnPosU) mdPosU.merge(mdMicU) mdUntilted.unionAll(mdPosU) tmicName = pwutils.removeBaseExt(tMic.getFileName()) fnMicT = self._getExtraPath(tmicName + ".xmd") fnPosT = self._getExtraPath(tmicName + ".pos") mdMicT = md.MetaData(fnMicT) mdPosT = md.MetaData('particles@%s' % fnPosT) mdPosT.merge(mdMicT) mdTilted.unionAll(mdPosT) # Write image metadata (check if it is really necessary) fnTilted = self._getExtraPath("images_tilted.xmd") fnUntilted = self._getExtraPath("images_untilted.xmd") mdUntilted.write(fnUntilted) mdTilted.write(fnTilted) def createOutputStep(self): fnTilted = self._getExtraPath("images_tilted.xmd") fnUntilted = self._getExtraPath("images_untilted.xmd") # Create outputs SetOfParticles both for tilted and untilted imgSetU = self._createSetOfParticles(suffix="Untilted") imgSetU.copyInfo(self.uMics) imgSetT = self._createSetOfParticles(suffix="Tilted") imgSetT.copyInfo(self.tMics) sampling = self.samplingMics if self._micsOther( ) else self.samplingInput if self._doDownsample(): sampling *= self.downFactor.get() imgSetU.setSamplingRate(sampling) imgSetT.setSamplingRate(sampling) # set coords from the input, will update later if needed imgSetU.setCoordinates( self.inputCoordinatesTiltedPairs.get().getUntilted()) imgSetT.setCoordinates( self.inputCoordinatesTiltedPairs.get().getTilted()) # Read untilted and tilted particles on a temporary object (also disabled particles) imgSetAuxU = SetOfParticles(filename=':memory:') imgSetAuxU.copyInfo(imgSetU) readSetOfParticles(fnUntilted, imgSetAuxU, removeDisabled=False) imgSetAuxT = SetOfParticles(filename=':memory:') imgSetAuxT.copyInfo(imgSetT) readSetOfParticles(fnTilted, imgSetAuxT, removeDisabled=False) # calculate factor for coords scaling factor = 1 / self.samplingFactor if self._doDownsample(): factor /= self.downFactor.get() coordsT = self.inputCoordinatesTiltedPairs.get().getTilted() # For each untilted particle retrieve micId from SetOfCoordinates untilted for imgU, coordU in izip( imgSetAuxU, self.inputCoordinatesTiltedPairs.get().getUntilted()): # FIXME: Remove this check when sure that objIds are equal id = imgU.getObjId() if id != coordU.getObjId(): raise Exception( 'ObjIds in untilted img and coord are not the same!!!!') imgT = imgSetAuxT[id] coordT = coordsT[id] # If both particles are enabled append them if imgU.isEnabled() and imgT.isEnabled(): if self._micsOther() or self._doDownsample(): coordU.scale(factor) coordT.scale(factor) imgU.setCoordinate(coordU) imgSetU.append(imgU) imgT.setCoordinate(coordT) imgSetT.append(imgT) imgSetU.write() imgSetT.write() # Define output ParticlesTiltPair outputset = ParticlesTiltPair( filename=self._getPath('particles_pairs.sqlite')) outputset.setTilted(imgSetT) outputset.setUntilted(imgSetU) for imgU, imgT in izip(imgSetU, imgSetT): outputset.append(TiltPair(imgU, imgT)) outputset.setCoordsPair(self.inputCoordinatesTiltedPairs.get()) self._defineOutputs(outputParticlesTiltPair=outputset) self._defineSourceRelation(self.inputCoordinatesTiltedPairs, outputset) # --------------------------- INFO functions -------------------------------------------- def _validate(self): errors = [] if self.doNormalize: if self.backRadius > int(self.boxSize.get() / 2): errors.append("Background radius for normalization should be " "equal or less than half of the box size.") return errors def _citations(self): return ['delaRosaTrevin2013'] def _summary(self): summary = [] summary.append("Micrographs source: %s" % self.getEnumText('downsampleType')) summary.append("Particle box size: %d" % self.boxSize) if not hasattr(self, 'outputParticlesTiltPair'): summary.append("Output images not ready yet.") else: summary.append("Particle pairs extracted: %d" % self.outputParticlesTiltPair.getSize()) return summary def _methods(self): methodsMsgs = [] if self.getStatus() == STATUS_FINISHED: msg = "A total of %d particle pairs of size %d were extracted" % ( self.getOutput().getSize(), self.boxSize) if self._micsOther(): msg += " from another set of micrographs: %s" % self.getObjectTag( 'inputMicrographsTiltedPair') msg += " using coordinates %s" % self.getObjectTag( 'inputCoordinatesTiltedPairs') msg += self.methodsVar.get('') methodsMsgs.append(msg) if self.doRemoveDust: methodsMsgs.append("Removed dust over a threshold of %s." % (self.thresholdDust)) if self.doInvert: methodsMsgs.append("Inverted contrast on images.") if self._doDownsample(): methodsMsgs.append( "Particles downsampled by a factor of %0.2f." % self.downFactor) if self.doNormalize: methodsMsgs.append("Normalization performed of type %s." % (self.getEnumText('normType'))) return methodsMsgs # --------------------------- UTILS functions -------------------------------------------- def _setupBasicProperties(self): # Get sampling rate and inputMics according to micsSource type self.inputCoords = self.getCoords() self.uMics, self.tMics = self.getInputMicrographs() self.samplingInput = self.inputCoords.getUntilted().getMicrographs( ).getSamplingRate() self.samplingMics = self.uMics.getSamplingRate() self.samplingFactor = float(self.samplingMics / self.samplingInput) # create tmp set with all mic pairs self.inputMics = SetOfMicrographs(filename=':memory:') self.inputMics.copyInfo(self.uMics) self.inputMics.setStore(False) for micU, micT in izip(self.uMics, self.tMics): micU.cleanObjId() micT.cleanObjId() self.inputMics.append(micU) self.inputMics.append(micT) def getInputMicrographs(self): """ Return pairs of micrographs associated to the SetOfCoordinates or Other micrographs. """ if not self._micsOther(): return self.inputCoordinatesTiltedPairs.get().getUntilted().getMicrographs(), \ self.inputCoordinatesTiltedPairs.get().getTilted().getMicrographs() else: return self.inputMicrographsTiltedPair.get().getUntilted(), \ self.inputMicrographsTiltedPair.get().getTilted() def getCoords(self): return self.inputCoordinatesTiltedPairs.get() def getOutput(self): if self.hasAttribute('outputParticlesTiltPair' ) and self.outputParticlesTiltPair.hasValue(): return self.outputParticlesTiltPair else: return None def getCoordSampling(self): return self.getCoords().getUntilted().getMicrographs().getSamplingRate( ) def getMicSampling(self): return self.getInputMicrographs()[0].getSamplingRate()
def importCTFStep(self, importFrom): """ Copy ctfs matching the filename pattern. """ ci = self.getImportClass() inputMics = self.inputMicrographs.get() ctfSet = self._createSetOfCTF() ctfSet.setMicrographs(inputMics) outputMics = self._createSetOfMicrographs() SetOfMicrographs.copyInfo(outputMics, inputMics) createOutputMics = False files = [f for f, _ in self.iterFiles()] n = len(files) if n == 0: raise Exception("No files where found in path: '%s'\n" "matching the pattern: '%s'" % (self.filesPath, self.filesPattern)) print("Matching files: %s" % n) inputMicBases = [removeBaseExt(m.getFileName()) for m in inputMics] if len(files) > len(inputMicBases): self.warning("WARNING: The number of files matched by your pattern (%d) is larger than " "the number of available micrographs (%d). It is advised to carefully " "review the output of this run or to re-run with a more restrictive pattern." % (n, len(inputMicBases))) def _getMicCTF(mic): micName = mic.getMicName() micBase = removeBaseExt(mic.getFileName()) # see if the base name of this mic is contained in other base names micConflicts = [mc for mc in inputMicBases if micBase in mc and micBase != mc] if micConflicts: self.warning('WARNING: Micrograph base name "%s" conflicts with micrograph(s) "%s". ' 'Will try to find a unique match...' % (micBase, '", "'.join(micConflicts))) # check which matching file only matches with this mic and not its conflicts goodFnMatches = [f for f in files if micBase in f and not any(c in f for c in micConflicts)] for goodFnMatch in goodFnMatches: try: micCtf = ci.importCTF(mic, goodFnMatch) self.warning("WARNING: Assigned file %s to micrograph %s." % (goodFnMatch, micBase)) return micCtf except Exception as ex: self.warning("WARNING: Can't import ctf for micrograph %s from file %s" % (micBase, goodFnMatch)) continue else: return None else: for fileName, fileId in self.iterFiles(): if (fileId == mic.getObjId() or micBase in fileName or micName in fileName): return ci.importCTF(mic, fileName) return None # Check if the CTF import class has a method to retrieve the CTF # from a given micrograph. If not, we will try to associated based # on matching the filename or id getMicCTF = getattr(ci, 'getMicCTF', None) or _getMicCTF for mic in inputMics: ctf = getMicCTF(mic) if ctf is not None: ctfSet.append(ctf) outputMics.append(mic) else: # If CTF is not found for a micrograph remove it from output mics self.warning("CTF for micrograph id %d was not found. Removed " "from set of micrographs." % mic.getObjId()) createOutputMics = True self._defineOutputs(outputCTF=ctfSet) # If some of the micrographs had not ctf a subset of micrographs # have been produced if createOutputMics: self._defineOutputs(outputMicrographs=outputMics) self._defineCtfRelation(outputMics, ctfSet) else: self._defineCtfRelation(inputMics, ctfSet)
class XmippProtExtractParticlesPairs(ProtExtractParticlesPair, XmippProtocol): """Protocol to extract particles from a set of tilted pairs coordinates""" _label = 'extract particle pairs' def __init__(self, **kwargs): ProtExtractParticlesPair.__init__(self, **kwargs) self.stepsExecutionMode = STEPS_PARALLEL # --------------------------- DEFINE param functions ----------------------- def _defineParams(self, form): form.addSection(label='Input') form.addParam('inputCoordinatesTiltedPairs', PointerParam, important=True, label="Coordinates tilted pairs", pointerClass='CoordinatesTiltPair', help='Select the CoordinatesTiltPairs') form.addParam('downsampleType', EnumParam, choices=['same as picking', 'other'], default=0, important=True, label='Micrographs source', display=EnumParam.DISPLAY_HLIST, help='By default the particles will be extracted ' 'from the micrographs used in the picking ' 'step ( _same as picking_ option ).\n' 'If you select _other_ option, you must provide ' 'a different set of micrographs to extract from.\n' '*Note*: In the _other_ case, ensure that provided ' 'micrographs and coordinates are related ' 'by micName or by micId. Difference in pixel size ' 'will be handled automatically.') form.addParam('inputMicrographsTiltedPair', PointerParam, pointerClass='MicrographsTiltPair', condition='downsampleType != 0', important=True, label='Input tilt pair micrographs', help='Select the tilt pair micrographs from which to ' 'extract.') # downFactor should always be 1.0 or greater geOne = GE(1.0, error='Value should be greater or equal than 1.0') form.addParam('downFactor', FloatParam, default=1.0, validators=[geOne], label='Downsampling factor', help='Select a value greater than 1.0 to reduce the size ' 'of micrographs before extracting the particles. ' 'If 1.0 is used, no downsample is applied. ' 'Non-integer downsample factors are possible. ') form.addParam('boxSize', IntParam, default=0, label='Particle box size', validators=[Positive], help='In pixels. The box size is the size of the boxed ' 'particles, actual particles may be smaller than ' 'this. If you do downsampling after extraction, ' 'provide final box size here.') form.addParam('doBorders', BooleanParam, default=False, label='Fill pixels outside borders', help='Xmipp by default skips particles whose boxes fall ' 'outside of the micrograph borders. Set this ' 'option to True if you want those pixels outside ' 'the borders to be filled with the closest pixel ' 'value available') form.addSection(label='Preprocess') form.addParam('doRemoveDust', BooleanParam, default=True, important=True, label='Dust removal (Recommended)', help='Sets pixels with unusually large values to random ' 'values from a Gaussian with zero-mean and ' 'unity-standard deviation.') form.addParam('thresholdDust', FloatParam, default=3.5, condition='doRemoveDust', expertLevel=LEVEL_ADVANCED, label='Threshold for dust removal', help='Pixels with a signal higher or lower than this ' 'value times the standard deviation of the image ' 'will be affected. For cryo, 3.5 is a good value. ' 'For high-contrast negative stain, the signal ' 'itself may be affected so that a higher value may ' 'be preferable.') form.addParam('doInvert', BooleanParam, default=None, label='Invert contrast', help='Invert the contrast if your particles are black ' 'over a white background. Xmipp, Spider, Relion ' 'and Eman require white particles over a black ' 'background, Frealign (up to v9.07) requires black ' 'particles over a white background') form.addParam('doNormalize', BooleanParam, default=True, label='Normalize (Recommended)', help='It subtract a ramp in the gray values and ' 'normalizes so that in the background there is 0 ' 'mean and standard deviation 1.') form.addParam('normType', EnumParam, choices=['OldXmipp', 'NewXmipp', 'Ramp'], default=2, condition='doNormalize', expertLevel=LEVEL_ADVANCED, display=EnumParam.DISPLAY_COMBO, label='Normalization type', help='OldXmipp (mean(Image)=0, stddev(Image)=1).\n' 'NewXmipp (mean(background)=0, ' 'stddev(background)=1)\n' 'Ramp (subtract background+NewXmipp).') form.addParam('backRadius', IntParam, default=-1, condition='doNormalize', label='Background radius', expertLevel=LEVEL_ADVANCED, help='Pixels outside this circle are assumed to be ' 'noise and their stddev is set to 1. Radius for ' 'background circle definition (in pix.). If this ' 'value is 0, then half the box size is used.') form.addParallelSection(threads=4, mpi=1) #--------------------------- INSERT steps functions ------------------------ def _insertAllSteps(self): self._setupBasicProperties() # Write pos files for each micrograph firstStepId = self._insertFunctionStep('writePosFilesStep') # For each micrograph insert the steps, run in parallel deps = [] for mic in self.inputMics: localDeps = [firstStepId] fnLast = mic.getFileName() micName = pwutils.removeBaseExt(mic.getFileName()) def getMicTmp(suffix): return self._getTmpPath(micName + suffix) # Create a list with micrographs operations (programs in xmipp) and # the required command line parameters (except input/ouput files) micOps = [] # Check if it is required to downsample your micrographs downFactor = self.downFactor.get() if self.notOne(downFactor): fnDownsampled = getMicTmp("_downsampled.xmp") args = "-i %s -o %s --step %f --method fourier" micOps.append(('xmipp_transform_downsample', args % (fnLast, fnDownsampled, downFactor))) fnLast = fnDownsampled if self.doRemoveDust: fnNoDust = getMicTmp("_noDust.xmp") args = " -i %s -o %s --bad_pixels outliers %f" micOps.append(('xmipp_transform_filter', args % (fnLast, fnNoDust, self.thresholdDust))) fnLast = fnNoDust # TODO: implement CTF # Actually extract deps.append(self._insertFunctionStep('extractParticlesStep', mic.getObjId(), micName, None, fnLast, micOps, self.doInvert.get(), self._getNormalizeArgs(), self.doBorders.get(), prerequisites=localDeps)) metaDeps = self._insertFunctionStep('createMetadataImageStep', prerequisites=deps) # Insert step to create output objects self._insertFunctionStep('createOutputStep', prerequisites=[metaDeps], wait=False) # --------------------------- STEPS functions ------------------------------ def writePosFilesStep(self): """ Write the pos file for each micrograph in metadata format (both untilted and tilted). """ writeSetOfCoordinates(self._getExtraPath(), self.inputCoords.getUntilted(), scale=self.getBoxScale()) writeSetOfCoordinates(self._getExtraPath(), self.inputCoords.getTilted(), scale=self.getBoxScale()) # We need to find the mapping by micName (without ext) between the # micrographs in the SetOfCoordinates and the Other micrographs if self._micsOther(): micDict = {} # create tmp set with all mics from coords set coordMics = SetOfMicrographs(filename=':memory:') coordMics.copyInfo(self.inputCoords.getUntilted().getMicrographs()) for micU, micT in izip(self.inputCoords.getUntilted().getMicrographs(), self.inputCoords.getTilted().getMicrographs()): micU.cleanObjId() micT.cleanObjId() coordMics.append(micU) coordMics.append(micT) for mic in coordMics: micBase = pwutils.removeBaseExt(mic.getFileName()) micPos = self._getExtraPath(micBase + ".pos") micDict[pwutils.removeExt(mic.getMicName())] = micPos # now match micDict and inputMics if any(pwutils.removeExt(mic.getMicName()) in micDict for mic in self.inputMics): micKey = lambda mic: pwutils.removeExt(mic.getMicName()) else: raise Exception('Could not match input micrographs and coordinates ' 'by micName.') for mic in self.inputMics: # micrograph from input (other) mk = micKey(mic) if mk in micDict: micPosCoord = micDict[mk] if exists(micPosCoord): micBase = pwutils.removeBaseExt(mic.getFileName()) micPos = self._getExtraPath(micBase + ".pos") if micPos != micPosCoord: self.info('Moving %s -> %s' % (micPosCoord, micPos)) pwutils.moveFile(micPosCoord, micPos) def extractParticlesStep(self, micId, baseMicName, fnCTF, micrographToExtract, micOps, doInvert, normalizeArgs, doBorders): """ Extract particles from one micrograph """ outputRoot = str(self._getExtraPath(baseMicName)) fnPosFile = self._getExtraPath(baseMicName + ".pos") # If it has coordinates extract the particles particlesMd = 'particles@%s' % fnPosFile boxSize = self.boxSize.get() boxScale = self.getBoxScale() print "boxScale: ", boxScale if exists(fnPosFile): # Apply first all operations required for the micrograph for program, args in micOps: self.runJob(program, args) args = " -i %s --pos %s" % (micrographToExtract, particlesMd) args += " -o %s --Xdim %d" % (outputRoot, boxSize) if doInvert: args += " --invert" if fnCTF: args += " --ctfparam " + fnCTF if doBorders: args += " --fillBorders" self.runJob("xmipp_micrograph_scissor", args) # Normalize if normalizeArgs: self.runJob('xmipp_transform_normalize', '-i %s.stk %s' % (outputRoot, normalizeArgs)) else: self.warning("The micrograph %s hasn't coordinate file! " % baseMicName) self.warning("Maybe you picked over a subset of micrographs") # Let's clean the temporary mrc micrographs if not pwutils.envVarOn("SCIPION_DEBUG_NOCLEAN"): pwutils.cleanPattern(self._getTmpPath(baseMicName) + '*') def createMetadataImageStep(self): mdUntilted = md.MetaData() mdTilted = md.MetaData() # for objId in mdPairs: for uMic, tMic in izip(self.uMics, self.tMics): umicName = pwutils.removeBaseExt(uMic.getFileName()) fnMicU = self._getExtraPath(umicName + ".xmd") fnPosU = self._getExtraPath(umicName + ".pos") # Check if there are picked particles in these micrographs if pwutils.exists(fnMicU): mdMicU = md.MetaData(fnMicU) mdPosU = md.MetaData('particles@%s' % fnPosU) mdPosU.merge(mdMicU) mdUntilted.unionAll(mdPosU) tmicName = pwutils.removeBaseExt(tMic.getFileName()) fnMicT = self._getExtraPath(tmicName + ".xmd") fnPosT = self._getExtraPath(tmicName + ".pos") mdMicT = md.MetaData(fnMicT) mdPosT = md.MetaData('particles@%s' % fnPosT) mdPosT.merge(mdMicT) mdTilted.unionAll(mdPosT) # Write image metadata (check if it is really necessary) fnTilted = self._getExtraPath("images_tilted.xmd") fnUntilted = self._getExtraPath("images_untilted.xmd") mdUntilted.write(fnUntilted) mdTilted.write(fnTilted) def createOutputStep(self): fnTilted = self._getExtraPath("images_tilted.xmd") fnUntilted = self._getExtraPath("images_untilted.xmd") # Create outputs SetOfParticles both for tilted and untilted imgSetU = self._createSetOfParticles(suffix="Untilted") imgSetU.copyInfo(self.uMics) imgSetT = self._createSetOfParticles(suffix="Tilted") imgSetT.copyInfo(self.tMics) sampling = self.samplingMics if self._micsOther() else self.samplingInput if self._doDownsample(): sampling *= self.downFactor.get() imgSetU.setSamplingRate(sampling) imgSetT.setSamplingRate(sampling) # set coords from the input, will update later if needed imgSetU.setCoordinates(self.inputCoordinatesTiltedPairs.get().getUntilted()) imgSetT.setCoordinates(self.inputCoordinatesTiltedPairs.get().getTilted()) # Read untilted and tilted particles on a temporary object (also disabled particles) imgSetAuxU = SetOfParticles(filename=':memory:') imgSetAuxU.copyInfo(imgSetU) readSetOfParticles(fnUntilted, imgSetAuxU, removeDisabled=False) imgSetAuxT = SetOfParticles(filename=':memory:') imgSetAuxT.copyInfo(imgSetT) readSetOfParticles(fnTilted, imgSetAuxT, removeDisabled=False) # calculate factor for coords scaling factor = 1 / self.samplingFactor if self._doDownsample(): factor /= self.downFactor.get() coordsT = self.inputCoordinatesTiltedPairs.get().getTilted() # For each untilted particle retrieve micId from SetOfCoordinates untilted for imgU, coordU in izip(imgSetAuxU, self.inputCoordinatesTiltedPairs.get().getUntilted()): # FIXME: Remove this check when sure that objIds are equal id = imgU.getObjId() if id != coordU.getObjId(): raise Exception('ObjIds in untilted img and coord are not the same!!!!') imgT = imgSetAuxT[id] coordT = coordsT[id] # If both particles are enabled append them if imgU.isEnabled() and imgT.isEnabled(): if self._micsOther() or self._doDownsample(): coordU.scale(factor) coordT.scale(factor) imgU.setCoordinate(coordU) imgSetU.append(imgU) imgT.setCoordinate(coordT) imgSetT.append(imgT) imgSetU.write() imgSetT.write() # Define output ParticlesTiltPair outputset = ParticlesTiltPair(filename=self._getPath('particles_pairs.sqlite')) outputset.setTilted(imgSetT) outputset.setUntilted(imgSetU) for imgU, imgT in izip(imgSetU, imgSetT): outputset.append(TiltPair(imgU, imgT)) outputset.setCoordsPair(self.inputCoordinatesTiltedPairs.get()) self._defineOutputs(outputParticlesTiltPair=outputset) self._defineSourceRelation(self.inputCoordinatesTiltedPairs, outputset) # --------------------------- INFO functions -------------------------------------------- def _validate(self): errors = [] if self.doNormalize: if self.backRadius > int(self.boxSize.get() / 2): errors.append("Background radius for normalization should be " "equal or less than half of the box size.") return errors def _citations(self): return ['delaRosaTrevin2013'] def _summary(self): summary = [] summary.append("Micrographs source: %s" % self.getEnumText('downsampleType')) summary.append("Particle box size: %d" % self.boxSize) if not hasattr(self, 'outputParticlesTiltPair'): summary.append("Output images not ready yet.") else: summary.append("Particle pairs extracted: %d" % self.outputParticlesTiltPair.getSize()) return summary def _methods(self): methodsMsgs = [] if self.getStatus() == STATUS_FINISHED: msg = "A total of %d particle pairs of size %d were extracted" % (self.getOutput().getSize(), self.boxSize) if self._micsOther(): msg += " from another set of micrographs: %s" % self.getObjectTag('inputMicrographsTiltedPair') msg += " using coordinates %s" % self.getObjectTag('inputCoordinatesTiltedPairs') msg += self.methodsVar.get('') methodsMsgs.append(msg) if self.doRemoveDust: methodsMsgs.append("Removed dust over a threshold of %s." % (self.thresholdDust)) if self.doInvert: methodsMsgs.append("Inverted contrast on images.") if self._doDownsample(): methodsMsgs.append("Particles downsampled by a factor of %0.2f." % self.downFactor) if self.doNormalize: methodsMsgs.append("Normalization performed of type %s." % (self.getEnumText('normType'))) return methodsMsgs # --------------------------- UTILS functions ------------------------------ def _setupBasicProperties(self): # Get sampling rate and inputMics according to micsSource type self.inputCoords = self.getCoords() self.uMics, self.tMics = self.getInputMicrographs() self.samplingInput = self.inputCoords.getUntilted().getMicrographs().getSamplingRate() self.samplingMics = self.uMics.getSamplingRate() self.samplingFactor = float(self.samplingMics / self.samplingInput) # create tmp set with all mic pairs self.inputMics = SetOfMicrographs(filename=':memory:') self.inputMics.copyInfo(self.uMics) self.inputMics.setStore(False) for micU, micT in izip(self.uMics, self.tMics): micU.cleanObjId() micT.cleanObjId() self.inputMics.append(micU) self.inputMics.append(micT) def getInputMicrographs(self): """ Return pairs of micrographs associated to the SetOfCoordinates or Other micrographs. """ if not self._micsOther(): return self.inputCoordinatesTiltedPairs.get().getUntilted().getMicrographs(), \ self.inputCoordinatesTiltedPairs.get().getTilted().getMicrographs() else: return self.inputMicrographsTiltedPair.get().getUntilted(), \ self.inputMicrographsTiltedPair.get().getTilted() def getCoords(self): return self.inputCoordinatesTiltedPairs.get() def getOutput(self): if self.hasAttribute('outputParticlesTiltPair') and self.outputParticlesTiltPair.hasValue(): return self.outputParticlesTiltPair else: return None def getCoordSampling(self): return self.getCoords().getUntilted().getMicrographs().getSamplingRate() def getMicSampling(self): return self.getInputMicrographs()[0].getSamplingRate() def notOne(self, value): return abs(value - 1) > 0.0001 def _doDownsample(self): return self.downFactor > 1.0 def _getNormalizeArgs(self): if not self.doNormalize: return '' normType = self.getEnumText("normType") args = "--method %s " % normType if normType != "OldXmipp": bgRadius = self.backRadius.get() if bgRadius <= 0: bgRadius = int(self.boxSize.get() / 2) args += " --background circle %d" % bgRadius return args def getBoxScale(self): """ Computing the sampling factor between input and output. We should take into account the differences in sampling rate between micrographs used for picking and the ones used for extraction. The downsampling factor could also affect the resulting scale. """ samplingPicking = self.getCoordSampling() samplingExtract = self.getMicSampling() f = samplingPicking / samplingExtract return f / self.downFactor.get() if self._doDownsample() else f def _micsOther(self): """ Return True if other micrographs are used for extract. """ return self.downsampleType == OTHER