Source code for relion.protocols.protocol_create_mask3d

# **************************************************************************
# *
# * Authors:     Grigory Sharov (gsharov@mrc-lmb.cam.ac.uk)
# *
# * MRC Laboratory of Molecular Biology (MRC-LMB)
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# * This program is free software; you can redistribute it and/or modify
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# * Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA
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# *  All comments concerning this program package may be sent to the
# *  e-mail address 'scipion@cnb.csic.es'
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import math

import pyworkflow.protocol.params as params
from pwem.protocols import ProtCreateMask3D
from pwem.objects import VolumeMask

import relion.convert as convert
from ..constants import MASK_AND


[docs]class ProtRelionCreateMask3D(ProtCreateMask3D): """ This protocols creates a 3D mask using Relion. The mask is created from a 3d volume or by comparing two input volumes. """ _label = 'create 3d mask' # --------------------------- DEFINE param functions ---------------------- def _defineParams(self, form): form.addSection(label='Mask generation') form.addParam('inputVolume', params.PointerParam, pointerClass="Volume", label="Input volume", help="Select the volume that will be used to create the mask") form.addParam('initialLowPassFilterA', params.FloatParam, default=15., label='Lowpass filter map by (A)', help='Lowpass filter that will be applied to the input map, ' 'prior to binarization. To calculate solvent masks, a ' 'lowpass filter of 15-20A may work well.') # TODO: add wizard form.addParam('threshold', params.FloatParam, default=0.02, label='Initial binarisation threshold', help="This threshold is used to make an initial binary " "mask from the average of the two unfiltered " "half-reconstructions. If you don't know what " "value to use, display one of the unfiltered " "half-maps in a 3D surface rendering viewer and " "find the lowest threshold that gives no noise " "peaks outside the reconstruction.") form.addParam('doCompare', params.BooleanParam, default=False, expertLevel=params.LEVEL_ADVANCED, label='Compare with another volume to produce a mask?', help='Logical comparison of two input volumes to produce a mask') form.addParam('inputVolume2', params.PointerParam, pointerClass="Volume", condition='doCompare', expertLevel=params.LEVEL_ADVANCED, label="Input volume (second)", help="Select the volume that will be compared to the first one") form.addParam('operation', params.EnumParam, default=MASK_AND, condition='doCompare', expertLevel=params.LEVEL_ADVANCED, label='Operation', choices=['AND', 'OR', 'AND_NOT', 'OR_NOT'], help='*AND*: Pixels in the initial mask will be one if the input ' 'AND the second volume are above the threshold value.\n' '*OR*: Pixels in the initial mask will be one if the input ' 'OR the second volume are above the threshold value.\n' '*AND_NOT*: pixels in the initial mask will be one if ' 'the input is above the threshold AND the second volume ' 'is below it.\n*OR_NOT*: pixels in the initial mask will be ' 'one if the input is above the threshold OR the second ' 'volume is below it.') form.addParam('extend', params.IntParam, default=3, label='Extend binary mask by (px)', help='The initial binary mask is extended this number of ' 'pixels in all directions.') form.addParam('edge', params.IntParam, default=3, label='Add a soft-edge (px)', help='The extended binary mask is further extended with ' 'a raised-cosine soft edge of the specified width.') form.addParam('doInvert', params.BooleanParam, default=False, expertLevel=params.LEVEL_ADVANCED, label='Invert final mask', help='Invert the final mask') form.addParallelSection(threads=4, mpi=0) # --------------------------- INSERT steps functions ---------------------- def _insertAllSteps(self): self.maskFile = self._getExtraPath('mask.mrc') self._insertFunctionStep('convertInputStep', self.inputVolume.get().getObjId()) self._insertFunctionStep('createMaskStep') self._insertFunctionStep('createOutputStep') # --------------------------- STEPS functions -----------------------------
[docs] def convertInputStep(self, volId): self.inputVolFn = convert.convertBinaryVol( self.inputVolume.get(), self._getTmpPath()) if self.doCompare: self.inputVol2Fn = convert.convertBinaryVol( self.inputVolume2.get(), self._getTmpPath())
[docs] def createMaskStep(self): argsDict = {'--i ': self.inputVolFn, '--ini_threshold ': self.threshold.get(), '--extend_inimask ': self.extend.get(), '--width_soft_edge ': self.edge.get(), '--angpix ': self.inputVolume.get().getSamplingRate() } if self.initialLowPassFilterA.get() != -1: argsDict['--lowpass '] = self.initialLowPassFilterA.get() args = ' --o %s ' % self.maskFile args += ' '.join(['%s %s' % (k, v) for k, v in argsDict.items()]) if self.doCompare: op = self.operation.get() opStr = ['--and', '--or', '--and_not', '--or_not'][op] args += ' %s %s' % (opStr, self.inputVol2Fn) if self.doInvert: args += ' --invert' if self.numberOfThreads > 1: args += ' --j %d' % self.numberOfThreads self.runJob("relion_mask_create", args) return [self.maskFile]
[docs] def createOutputStep(self): volMask = VolumeMask() volMask.setFileName(self.maskFile) volMask.setSamplingRate(self.inputVolume.get().getSamplingRate()) self._defineOutputs(outputMask=volMask) self._defineSourceRelation(self.inputVolume, self.outputMask)
# --------------------------- INFO functions ------------------------------ def _validate(self): errors = [] if self.doCompare: pixVol1 = self.inputVolume.get().getSamplingRate() pixVol2 = self.inputVolume2.get().getSamplingRate() if not math.isclose(pixVol1, pixVol2, abs_tol=0.001): errors.append('Pixel size should be the same for both input volumes.') return errors def _summary(self): messages = [ "Created a mask from input volume using threshold %0.3f" % self.threshold.get(), "*Mask processing*", " Extend by %d pixels" % self.extend, " Apply soft edge of %d pixels" % self.edge] if self.doInvert: messages.append(" Inverted") return messages def _citations(self): return [] def _methods(self): messages = [ "*Mask creation*", "We processed the volume %s." % self.inputVolume.get().getNameId(), "We binarized it at threshold of %0.3f. " % self.threshold, "We extended binary mask by %d voxels." % self.extend, "And, we smoothed it by applying a soft edge of %d voxels." % self.edge.get() ] if self.doInvert: messages.append("We inverted the mask. ") messages.append("And, we smoothed it by applying a soft edge of " "%d voxels." % self.edge) if self.hasAttribute('outputMask'): messages.append('We refer to the output mask as %s.' % self.outputMask.getNameId()) return messages