""" Data fitting and peak prediction routines """ import genetrack from genetrack import logger, conf from itertools import * import numpy, operator from math import log, exp def normal_function( w, sigma ): """ Defaulf fitting function, it returns values from a normal distribution over a certain width. The function is not normalized thus will be a representation of the sum of readcounts. """ log2 = log(2) sigma2 = float(sigma)**2 lo, hi = int(-w), int(w+1) pi = numpy.pi # function definition, not normalized # thus will correspond to read counts def normal_func(index): return exp( -index*index/sigma2/2 ) values = map( normal_func, range(lo, hi) ) values = numpy.array( values, numpy.float ) return abs(lo), hi, values def gaussian_smoothing(x, y, sigma=20, epsilon=0.1 ): """ Fits data represented by f(x)=y by a sum of normal curves where each curve corresponds to a normal function of variance=sigma and height equal to the y coordinate. Parameters x and y are lists. Returns a tuple of with the new x, and y coordinates. """ if len(x)==0: return x, y # this is a joyfully simple, marvelously elegant and superfast solution # that's possible thanks to numpy. I bow before thy greatness, NumPY!!! # transform to numpy arrays x = numpy.array( x, numpy.int ) y = numpy.array( y, numpy.float ) # a sanity check assert len(x)==len(y), "Data lenghts must match!" # operate within 5 standard deviations w = 5 * sigma # precompute the fitting values for a given sigma, lo, hi, normal = normal_function( w=w, sigma=sigma ) # shift the original vector by the first index, so that # the first index starts at the value lo # this copies the array zero_x = x - x[0] + lo # the size will influence memory consumption # long vectors need to be stiched together externally # uses around 100MB per 10 million size # on live displays there is no need to fit over large regions (over 100K) # as the features won't be visible by eye size = zero_x[-1] + lo + hi # this will hold the new fitted values new_y = numpy.zeros( size, numpy.float ) # performs the smoothing by mutating the array values in place for index, value in izip(zero_x, y): lox = index - lo hix = index + hi # this is where the magic happens new_y[ lox:hix ] += value * normal # keep only values above the epsilon # this cuts out (potentially massive) regions where there are no measurements new_x = ( new_y > epsilon ).nonzero()[0] new_y = new_y.take(new_x) # now shift back to get the real indices new_x = new_x + x[0] - lo return new_x, new_y def detect_peaks( x, y ): """ Detects peaks (local maxima) from an iterators x and y where f(x)=y. Will not propely detect plateus! Returns a list of tuples where the two elements correspond to the peak index and peak value. >>> y = [ 0.0, 1.0, 2.5, 1.0, 3.5, 1.0, 0.0, 0.0, 10.5, 2.0, 1.0, 0.0 ] >>> x = range(len(y)) >>> peaks = detect_peaks( x=x, y=y ) >>> peaks [(2, 2.5), (4, 3.5), (8, 10.5)] >>> select_peaks( peaks, exclusion=1) [(2, 2.5), (4, 3.5), (8, 10.5)] >>> select_peaks( peaks, exclusion=2) [(4, 3.5), (8, 10.5)] """ peaks = [] # finds local maxima for i in xrange(1, len(y)-1 ): left, mid, right = y[i-1], y[i], y[i+1] if left < mid >= right: peaks.append( (x[i], mid) ) return peaks def select_peaks( peaks, exclusion, threshold=0): """ Selects maximal non-overlapping peaks with a given exclusion zone and over a given treshold. Takes as input a list of (index, value) tuples corresponding to all local maxima. Returns a filtered list of tuples (index, value) with the maxima that pass the conditions. >>> peaks = [ (0, 20), (100, 19), (500, 4), (10**6, 2) ] >>> select_peaks( peaks, exclusion=200) [(0, 20), (500, 4), (1000000, 2)] """ # zero exclusion allows all peaks to pass if exclusion == 0: return peaks # sort by peak height work = [ (y, x) for x, y in peaks if y >= threshold ] work.sort() work.reverse() # none of the values passed the treshold if not work: return [] # this will store the selected peaks selected = [] # we assume that peaks are sorted already increasing order by x xmin, xmax = peaks[0][0], peaks[-1][0] # we create an occupancy vector to keep track of empty regions size = xmax - xmin + exclusion shift = xmin - exclusion # exclusion will be applied for both ends # the size must fit into memory, int8 is fairly small though # chop large chromosomes into chunks and predict on each empty = numpy.ones(size + exclusion, numpy.int8) # starting with the largest select from the existing peaks for peaky, peakx in work: # get the peak index as occupancy vector index locind = peakx - shift # check region if empty[locind]: # store this peak selected.append( ( peakx, peaky ) ) # block the region left = locind - exclusion right = locind + exclusion empty[left:right] = numpy.zeros (right - left, numpy.int8) selected.sort() return selected def fixed_width_predictor(x, y, params): """ Generates peaks from a x,y dataset. >>> from genetrack import util >>> >>> y = [ 0.0, 1.0, 2.5, 1.0, 3.5, 1.0, 0.0, 0.0, 10.5, 2.0, 1.0, 0.0 ] >>> x = range(len(y)) >>> >>> params = util.Params(feature_width=1, minimum_peak=0, zoom_value=1) >>> fixed_width_predictor(x, y, params=params) [(2, 2, '2.5'), (4, 4, '3.5'), (8, 8, '10.5')] >>> >>> params = util.Params(feature_width=2, minimum_peak=3, zoom_value=1) >>> fixed_width_predictor(x, y, params=params) [(3, 5, '3.5'), (7, 9, '10.5')] """ width = params.feature_width all_peaks = detect_peaks(x=x, y=y ) sel_peaks = select_peaks(peaks=all_peaks, exclusion=width, threshold=params.minimum_peak) #print params #print sel_peaks # generate the fixed lenght intervals with open h = width/2 if int(params.zoom_value)> 5000: results = [ (m - h, m + h, '' ) for m, v in sel_peaks ] else: results = [ (m - h, m + h, '%.1f' % v ) for m, v in sel_peaks ] return results def test(verbose=0): """ Main testrunnner """ import doctest doctest.testmod( verbose=verbose ) def test_plot(): "Visualize results via matplotlib" from pylab import plot, show x = [ 1, 101, 102, 103, 500, 503, ] y = [ 1, 1, 2, 3, 5, 1, ] nx, ny = gaussian_smoothing(x, y, sigma=30) plot(nx, ny, 'bo-') show() if __name__ == '__main__': test(verbose=0) peaks = [ (0, 20), (100, 19), (500, 4), (10**6, 2) ] print select_peaks( peaks, exclusion=200) #test_plot()