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diff galaxy_micropita/src/breadcrumbs/hclust/hclust.py @ 3:8fb4630ab314 draft default tip
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author | sagun98 |
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date | Thu, 03 Jun 2021 17:07:36 +0000 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/galaxy_micropita/src/breadcrumbs/hclust/hclust.py Thu Jun 03 17:07:36 2021 +0000 @@ -0,0 +1,603 @@ +#!/usr/bin/env python + +import sys +import numpy as np +import matplotlib +matplotlib.use('Agg') +import scipy +import pylab +import scipy.cluster.hierarchy as sch +import scipy.spatial.distance as dis +from scipy import stats + +# User defined color maps (in addition to matplotlib ones) +bbcyr = {'red': ( (0.0, 0.0, 0.0), + (0.25, 0.0, 0.0), + (0.50, 0.0, 0.0), + (0.75, 1.0, 1.0), + (1.0, 1.0, 1.0)), + 'green': ( (0.0, 0.0, 0.0), + (0.25, 0.0, 0.0), + (0.50, 1.0, 1.0), + (0.75, 1.0, 1.0), + (1.0, 0.0, 1.0)), + 'blue': ( (0.0, 0.0, 0.0), + (0.25, 1.0, 1.0), + (0.50, 1.0, 1.0), + (0.75, 0.0, 0.0), + (1.0, 0.0, 1.0))} + +bbcry = {'red': ( (0.0, 0.0, 0.0), + (0.25, 0.0, 0.0), + (0.50, 0.0, 0.0), + (0.75, 1.0, 1.0), + (1.0, 1.0, 1.0)), + 'green': ( (0.0, 0.0, 0.0), + (0.25, 0.0, 0.0), + (0.50, 1.0, 1.0), + (0.75, 0.0, 0.0), + (1.0, 1.0, 1.0)), + 'blue': ( (0.0, 0.0, 0.0), + (0.25, 1.0, 1.0), + (0.50, 1.0, 1.0), + (0.75, 0.0, 0.0), + (1.0, 0.0, 1.0))} +my_colormaps = [ ('bbcyr',bbcyr), + ('bbcry',bbcry)] + + + +def read_params(args): + import argparse as ap + import textwrap + + p = ap.ArgumentParser( description= "TBA" ) + + p.add_argument( '--in', '--inp', metavar='INPUT_FILE', type=str, + nargs='?', default=sys.stdin, + help= "the input archive " ) + + p.add_argument( '--out', metavar='OUTPUT_FILE', type=str, + nargs = '?', default=None, + help= " the output file, image on screen" + " if not specified. " ) + + p.add_argument( '-m', metavar='method', type=str, + choices=[ "single","complete","average", + "weighted","centroid","median", + "ward" ], + default="average" ) + + dist_funcs = [ "euclidean","minkowski","cityblock","seuclidean", + "sqeuclidean","cosine","correlation","hamming", + "jaccard","chebyshev","canberra","braycurtis", + "mahalanobis","yule","matching","dice", + "kulsinski","rogerstanimoto","russellrao","sokalmichener", + "sokalsneath","wminkowski","ward"] + p.add_argument( '-d', metavar='distance function', type=str, + choices=dist_funcs, + default="euclidean" ) + p.add_argument( '-f', metavar='distance function for features', type=str, + choices=dist_funcs, + default="d" ) + + p.add_argument( '--dmf', metavar='distance matrix for features', type=str, + default = None ) + p.add_argument( '--dms', metavar='distance matrix for samples', type=str, + default = None ) + + + p.add_argument( '-l', metavar='sample label', type=str, + default = None ) + + p.add_argument( '-s', metavar='scale norm', type=str, + default = 'lin', choices = ['log','lin']) + + p.add_argument( '-x', metavar='x cell width', type=float, + default = 0.1) + p.add_argument( '-y', metavar='y cell width', type=float, + default = 0.1 ) + + p.add_argument( '--minv', metavar='min value', type=float, + default = 0.0 ) + p.add_argument( '--maxv', metavar='max value', type=float, + default = None ) + + p.add_argument( '--xstart', metavar='x coordinate of the top left cell ' + 'of the values', + type=int, default=1 ) + p.add_argument( '--ystart', metavar='y coordinate of the top left cell ' + 'of the values', + type=int, default=1 ) + p.add_argument( '--xstop', metavar='x coordinate of the bottom right cell ' + 'of the values (default None = last row)', + type=int, default=None ) + p.add_argument( '--ystop', metavar='y coordinate of the bottom right cell ' + 'of the values (default None = last column)', + type=int, default=None ) + + p.add_argument( '--perc', metavar='percentile for ordering and rows selection', type=int, default=None ) + p.add_argument( '--top', metavar='selection of the top N rows', type=int, default=None ) + p.add_argument( '--norm', metavar='whether to normalize columns (default 0)', type=int, default=0 ) + + p.add_argument( '--sdend_h', metavar='height of the sample dendrogram', type=float, + default = 0.1 ) + p.add_argument( '--fdend_w', metavar='width of the feature dendrogram', type=float, + default = 0.1 ) + p.add_argument( '--cm_h', metavar='height of the colormap', type=float, + default = 0.03 ) + p.add_argument( '--cm_ticks', metavar='label for ticks of the colormap', type=str, + default = None ) + + p.add_argument( '--font_size', metavar='label_font_size', type=int, + default = 7 ) + p.add_argument( '--feat_dend_col_th', metavar='Color threshold for feature dendrogram', type=float, + default = None ) + p.add_argument( '--sample_dend_col_th', metavar='Color threshold for sample dendrogram', type=float, + default = None ) + p.add_argument( '--clust_ncols', metavar='Number of colors for clusters', type=int, + default = 7 ) + p.add_argument( '--clust_line_w', metavar='Cluster line width', type=float, + default = 1.0 ) + p.add_argument( '--label_cols', metavar='Label colors', type=str, + default = None ) + p.add_argument( '--label2cols', metavar='Label to colors mapping file', type=str, + default = None ) + p.add_argument( '--sdend_out', metavar='File for storing the samples dendrogram in PhyloXML format', type=str, + default = None ) + p.add_argument( '--fdend_out', metavar='File for storing the features dendrogram in PhyloXML format', type=str, + default = None ) + + + p.add_argument( '--pad_inches', metavar='Proportion of figure to be left blank around the plot', type=float, + default = 0.1 ) + + + p.add_argument( '--flabel', metavar='Whether to show the labels for the features', type=int, + default = 0 ) + p.add_argument( '--slabel', metavar='Whether to show the labels for the samples', type=int, + default = 0 ) + + p.add_argument( '--legend', metavar='Whether to show the samples to label legend', type=int, + default = 0 ) + p.add_argument( '--legend_font_size', metavar='Legend font size', type=int, + default = 7 ) + p.add_argument( '--legend_ncol', metavar='Number of columns for the legend', type=int, + default = 3 ) + p.add_argument( '--grid', metavar='Whether to show the grid (only black for now)', type=int, + default = 0 ) + + col_maps = ['Accent', 'Blues', 'BrBG', 'BuGn', 'BuPu', 'Dark2', 'GnBu', + 'Greens', 'Greys', 'OrRd', 'Oranges', 'PRGn', 'Paired', + 'Pastel1', 'Pastel2', 'PiYG', 'PuBu', 'PuBuGn', 'PuOr', + 'PuRd', 'Purples', 'RdBu', 'RdGy', 'RdPu', 'RdYlBu', 'RdYlGn', + 'Reds', 'Set1', 'Set2', 'Set3', 'Spectral', 'YlGn', 'YlGnBu', + 'YlOrBr', 'YlOrRd', 'afmhot', 'autumn', 'binary', 'bone', + 'brg', 'bwr', 'cool', 'copper', 'flag', 'gist_earth', + 'gist_gray', 'gist_heat', 'gist_ncar', 'gist_rainbow', + 'gist_stern', 'gist_yarg', 'gnuplot', 'gnuplot2', 'gray', + 'hot', 'hsv', 'jet', 'ocean', 'pink', 'prism', 'rainbow', + 'seismic', 'spectral', 'spring', 'summer', 'terrain', 'winter'] + [n for n,c in my_colormaps] + p.add_argument( '-c', metavar='colormap', type=str, + choices = col_maps, default = 'jet' ) + + return vars(p.parse_args()) + +# Predefined colors for dendrograms brances and class labels +colors = [ "#B22222","#006400","#0000CD","#9400D3","#696969","#8B4513", + "#FF1493","#FF8C00","#3CB371","#00Bfff","#CDC9C9","#FFD700", + "#2F4F4F","#FF0000","#ADFF2F","#B03060" ] + +def samples2classes_panel(fig, samples, s2l, idx1, idx2, height, xsize, cols, legendon, fontsize, label2cols, legend_ncol ): + from matplotlib.patches import Rectangle + samples2labels = dict([(l[0],l[1]) + for l in [ll.strip().split('\t') + for ll in open(s2l)] if len(l) > 1]) + + if label2cols: + labels2colors = dict([(l[0],l[1]) for l in [ll.strip().split('\t') for ll in open(label2cols)]]) + else: + cs = cols if cols else colors + labels2colors = dict([(l,cs[i%len(cs)]) for i,l in enumerate(set(samples2labels.values()))]) + ax1 = fig.add_axes([0.,1.0,1.0,height],frameon=False) + ax1.set_xticks([]) + ax1.set_yticks([]) + ax1.set_ylim( [0.0, height] ) + ax1.set_xlim( [0.0, xsize] ) + step = xsize / float(len(samples)) + labels = set() + added_labels = set() + for i,ind in enumerate(idx2): + if not samples[ind] in samples2labels or \ + not samples2labels[samples[ind]] in labels2colors: + fc, ll = "k", None + else: + ll = samples2labels[samples[ind]] + ll = None if ll in added_labels else ll + added_labels.add( ll ) + fc = labels2colors[samples2labels[samples[ind]]] + + rect = Rectangle( [float(i)*step, 0.0], step, height, + facecolor = fc, + label = ll, + edgecolor='b', lw = 0.0) + labels.add( ll ) + ax1.add_patch(rect) + ax1.autoscale_view() + + if legendon: + ax1.legend( loc = 2, ncol = legend_ncol, bbox_to_anchor=(1.01, 3.), + borderpad = 0.0, labelspacing = 0.0, + handlelength = 0.5, handletextpad = 0.3, + borderaxespad = 0.0, columnspacing = 0.3, + prop = {'size':fontsize}, frameon = False) + +def samples_dend_panel( fig, Z, Z2, ystart, ylen, lw ): + ax2 = fig.add_axes([0.0,1.0+ystart,1.0,ylen], frameon=False) + Z2['color_list'] = [c.replace('b','k') for c in Z2['color_list']] + mh = max(Z[:,2]) + sch._plot_dendrogram( Z2['icoord'], Z2['dcoord'], Z2['ivl'], + Z.shape[0] + 1, Z.shape[0] + 1, + mh, 'top', no_labels=True, + color_list=Z2['color_list'] ) + for coll in ax2.collections: + coll._linewidths = (lw,) + ax2.set_xticks([]) + ax2.set_yticks([]) + ax2.set_xticklabels([]) + +def features_dend_panel( fig, Z, Z2, width, lw ): + ax1 = fig.add_axes([-width,0.0,width,1.0], frameon=False) + Z2['color_list'] = [c.replace('b','k').replace('x','b') for c in Z2['color_list']] + mh = max(Z[:,2]) + sch._plot_dendrogram(Z2['icoord'], Z2['dcoord'], Z2['ivl'], Z.shape[0] + 1, Z.shape[0] + 1, mh, 'right', no_labels=True, color_list=Z2['color_list']) + for coll in ax1.collections: + coll._linewidths = (lw,) + ax1.set_xticks([]) + ax1.set_yticks([]) + ax1.set_xticklabels([]) + + +def add_cmap( cmapdict, name ): + my_cmap = matplotlib.colors.LinearSegmentedColormap(name,cmapdict,256) + pylab.register_cmap(name=name,cmap=my_cmap) + +def init_fig(xsize,ysize,ncol): + fig = pylab.figure(figsize=(xsize,ysize)) + sch._link_line_colors = colors[:ncol] + return fig + +def heatmap_panel( fig, D, minv, maxv, idx1, idx2, cm_name, scale, cols, rows, label_font_size, cb_offset, cb_l, flabelson, slabelson, cm_ticks, gridon, bar_offset ): + cm = pylab.get_cmap(cm_name) + bottom_col = [ cm._segmentdata['red'][0][1], + cm._segmentdata['green'][0][1], + cm._segmentdata['blue'][0][1] ] + axmatrix = fig.add_axes( [0.0,0.0,1.0,1.0], + axisbg=bottom_col) + if any([c < 0.95 for c in bottom_col]): + axmatrix.spines['right'].set_color('none') + axmatrix.spines['left'].set_color('none') + axmatrix.spines['top'].set_color('none') + axmatrix.spines['bottom'].set_color('none') + norm_f = matplotlib.colors.LogNorm if scale == 'log' else matplotlib.colors.Normalize + im = axmatrix.matshow( D, norm = norm_f( vmin=minv if minv > 0.0 else None, + vmax=maxv), + aspect='auto', origin='lower', cmap=cm, vmax=maxv) + + axmatrix2 = axmatrix.twinx() + axmatrix3 = axmatrix.twiny() + + axmatrix.set_xticks([]) + axmatrix2.set_xticks([]) + axmatrix3.set_xticks([]) + axmatrix.set_yticks([]) + axmatrix2.set_yticks([]) + axmatrix3.set_yticks([]) + + axmatrix.set_xticklabels([]) + axmatrix2.set_xticklabels([]) + axmatrix3.set_xticklabels([]) + axmatrix.set_yticklabels([]) + axmatrix2.set_yticklabels([]) + axmatrix3.set_yticklabels([]) + + if any([c < 0.95 for c in bottom_col]): + axmatrix2.spines['right'].set_color('none') + axmatrix2.spines['left'].set_color('none') + axmatrix2.spines['top'].set_color('none') + axmatrix2.spines['bottom'].set_color('none') + if any([c < 0.95 for c in bottom_col]): + axmatrix3.spines['right'].set_color('none') + axmatrix3.spines['left'].set_color('none') + axmatrix3.spines['top'].set_color('none') + axmatrix3.spines['bottom'].set_color('none') + if flabelson: + axmatrix2.set_yticks(np.arange(len(rows))+0.5) + axmatrix2.set_yticklabels([rows[r] for r in idx1],size=label_font_size,va='center') + if slabelson: + axmatrix.set_xticks(np.arange(len(cols))) + axmatrix.set_xticklabels([cols[r] for r in idx2],size=label_font_size,rotation=90,va='top',ha='center') + axmatrix.tick_params(length=0) + axmatrix2.tick_params(length=0) + axmatrix3.tick_params(length=0) + axmatrix2.set_ylim(0,len(rows)) + + if gridon: + axmatrix.set_yticks(np.arange(len(idx1)-1)+0.5) + axmatrix.set_xticks(np.arange(len(idx2))+0.5) + axmatrix.grid( True ) + ticklines = axmatrix.get_xticklines() + ticklines.extend( axmatrix.get_yticklines() ) + #gridlines = axmatrix.get_xgridlines() + #gridlines.extend( axmatrix.get_ygridlines() ) + + for line in ticklines: + line.set_linewidth(3) + + if cb_l > 0.0: + axcolor = fig.add_axes([0.0,1.0+bar_offset*1.25,1.0,cb_l]) + cbar = fig.colorbar(im, cax=axcolor, orientation='horizontal') + cbar.ax.tick_params(labelsize=label_font_size) + if cm_ticks: + cbar.ax.set_xticklabels( cm_ticks.split(":") ) + + +def read_table( fin, xstart,xstop,ystart,ystop, percentile = None, top = None, norm = False ): + mat = [l.rstrip().split('\t') for l in open( fin )] + + if fin.endswith(".biom"): + sample_labels = mat[1][1:-1] + m = [(mm[-1]+"; OTU"+mm[0],np.array([float(f) for f in mm[1:-1]])) for mm in mat[2:]] + #feat_labels = [m[-1].replace(";","_").replace(" ","")+m[0] for m in mat[2:]] + #print len(feat_labels) + #print len(sample_labels) + else: + sample_labels = mat[0][xstart:xstop] + m = [(mm[xstart-1],np.array([float(f) for f in mm[xstart:xstop]])) for mm in mat[ystart:ystop]] + + if norm: + msums = [0.0 for l in m[0][1]] + for mm in m: + for i,v in enumerate(mm[1]): + msums[i] += v + + if top and not percentile: + percentile = 90 + + if percentile: + m = sorted(m,key=lambda x:-stats.scoreatpercentile(x[1],percentile)) + if top: + if fin.endswith(".biom"): + #feat_labels = [mm[-1].replace(";","_").replace(" ","")+mm[0] for mm in m[:top]] + feat_labels = [mm[0] for mm in m[:top]] + else: + feat_labels = [mm[0] for mm in m[:top]] + if norm: + m = [np.array([n/v for n,v in zip(mm[1],msums)]) for mm in m[:top]] + else: + m = [mm[1] for mm in m[:top]] + else: + if fin.endswith(".biom"): + feat_labels = [mm[0] for mm in m] + else: + feat_labels = [mm[0] for mm in m] + if norm: + m = [np.array([n/v for n,v in zip(mm[1],msums)]) for mm in m] + else: + m = [mm[1] for mm in m] + #m = [mm[1] for mm in m] + + D = np.matrix( np.array( m ) ) + + return D, feat_labels, sample_labels + +def read_dm( fin, n ): + mat = [[float(f) for f in l.strip().split('\t')] for l in open( fin )] + nc = sum([len(r) for r in mat]) + + if nc == n*n: + dm = [] + for i in range(n): + dm += mat[i][i+1:] + return np.array(dm) + if nc == (n*n-n)/2: + dm = [] + for i in range(n): + dm += mat[i] + return np.array(dm) + sys.stderr.write( "Error in reading the distance matrix\n" ) + sys.exit() + + +def exp_newick( inp, labels, outfile, tree_format = 'phyloxml' ): + n_leaves = int(inp[-1][-1]) + from Bio import Phylo + import collections + from Bio.Phylo.BaseTree import Tree as BTree + from Bio.Phylo.BaseTree import Clade as BClade + tree = BTree() + tree.root = BClade() + + subclades = {} + sb_cbl = {} + + for i,(fr,to,bl,nsub) in enumerate( inp ): + if fr < n_leaves: + fr_c = BClade(branch_length=-1.0,name=labels[int(fr)]) + subclades[fr] = fr_c + sb_cbl[fr] = bl + if to < n_leaves: + to_c = BClade(branch_length=-1.0,name=labels[int(to)]) + subclades[to] = to_c + sb_cbl[to] = bl + for i,(fr,to,bl,nsub) in enumerate( inp ): + fr_c = subclades[fr] + to_c = subclades[to] + cur_c = BClade(branch_length=bl) + cur_c.clades.append( fr_c ) + cur_c.clades.append( to_c ) + subclades[i+n_leaves] = cur_c + + def reset_rec( clade, fath_bl ): + if clade.branch_length < 0: + clade.branch_length = fath_bl + return + for c in clade.clades: + reset_rec( c, clade.branch_length ) + clade.branch_length = fath_bl-clade.branch_length + + tree.root = cur_c + reset_rec( tree.root, 0.0 ) + tree.root.branch_length = 0.0 + Phylo.write(tree, outfile, tree_format ) + +def hclust( fin, fout, + method = "average", + dist_func = "euclidean", + feat_dist_func = "d", + xcw = 0.1, + ycw = 0.1, + scale = 'lin', + minv = 0.0, + maxv = None, + xstart = 1, + ystart = 1, + xstop = None, + ystop = None, + percentile = None, + top = None, + norm = False, + cm_name = 'jet', + s2l = None, + label_font_size = 7, + feat_dend_col_th = None, + sample_dend_col_th = None, + clust_ncols = 7, + clust_line_w = 1.0, + label_cols = None, + sdend_h = 0.1, + fdend_w = 0.1, + cm_h = 0.03, + dmf = None, + dms = None, + legendon = False, + label2cols = None, + flabelon = True, + slabelon = True, + cm_ticks = None, + legend_ncol = 3, + pad_inches = None, + legend_font_size = 7, + gridon = 0, + sdend_out = None, + fdend_out= None): + + if label_cols and label_cols.count("-"): + label_cols = label_cols.split("-") + + for n,c in my_colormaps: + add_cmap( c, n ) + + if feat_dist_func == 'd': + feat_dist_func = dist_func + + D, feat_labels, sample_labels = read_table(fin,xstart,xstop,ystart,ystop,percentile,top,norm) + + ylen,xlen = D[:].shape + Dt = D.transpose() + + size_cx, size_cy = xcw, ycw + + xsize, ysize = max(xlen*size_cx,2.0), max(ylen*size_cy,2.0) + ydend_offset = 0.025*8.0/ysize if s2l else 0.0 + + fig = init_fig(xsize,ysize,clust_ncols) + + nfeats, nsamples = len(D), len(Dt) + + if dmf: + p1 = read_dm( dmf, nfeats ) + Y1 = sch.linkage( p1, method=method ) + else: + p1 = dis.pdist( D, feat_dist_func ) + Y1 = sch.linkage( p1, method=method ) # , metric=feat_dist_func ) + #Y1 = sch.linkage( D, method=method, metric=feat_dist_func ) + Z1 = sch.dendrogram(Y1, no_plot=True, color_threshold=feat_dend_col_th) + + if fdend_out: + exp_newick( Y1, feat_labels, fdend_out ) + + if dms: + p2 = read_dm( dms, nsamples ) + Y2 = sch.linkage( p2, method=method ) + else: + p2 = dis.pdist( Dt, dist_func ) + Y2 = sch.linkage( p2, method=method ) # , metric=dist_func ) + #Y2 = sch.linkage( Dt, method=method, metric=dist_func ) + Z2 = sch.dendrogram(Y2, no_plot=True, color_threshold=sample_dend_col_th) + + if sdend_out: + exp_newick( Y2, sample_labels, sdend_out ) + + if fdend_w > 0.0: + features_dend_panel(fig, Y1, Z1, fdend_w*8.0/xsize, clust_line_w ) + if sdend_h > 0.0: + samples_dend_panel(fig, Y2, Z2, ydend_offset, sdend_h*8.0/ysize, clust_line_w) + + idx1, idx2 = Z1['leaves'], Z2['leaves'] + D = D[idx1,:][:,idx2] + + if s2l: + samples2classes_panel( fig, sample_labels, s2l, idx1, idx2, 0.025*8.0/ysize, xsize, label_cols, legendon, legend_font_size, label2cols, legend_ncol ) + heatmap_panel( fig, D, minv, maxv, idx1, idx2, cm_name, scale, sample_labels, feat_labels, label_font_size, -cm_h*8.0/ysize, cm_h*0.8*8.0/ysize, flabelon, slabelon, cm_ticks, gridon, ydend_offset+sdend_h*8.0/ysize ) + + fig.savefig( fout, bbox_inches='tight', + pad_inches = pad_inches, + dpi=300) if fout else pylab.show() + +if __name__ == '__main__': + pars = read_params( sys.argv ) + + hclust( fin = pars['in'], + fout = pars['out'], + method = pars['m'], + dist_func = pars['d'], + feat_dist_func = pars['f'], + xcw = pars['x'], + ycw = pars['y'], + scale = pars['s'], + minv = pars['minv'], + maxv = pars['maxv'], + xstart = pars['xstart'], + ystart = pars['ystart'], + xstop = pars['xstop'], + ystop = pars['ystop'], + percentile = pars['perc'], + top = pars['top'], + norm = pars['norm'], + cm_name = pars['c'], + s2l = pars['l'], + label_font_size = pars['font_size'], + feat_dend_col_th = pars['feat_dend_col_th'], + sample_dend_col_th = pars['sample_dend_col_th'], + clust_ncols = pars['clust_ncols'], + clust_line_w = pars['clust_line_w'], + label_cols = pars['label_cols'], + sdend_h = pars['sdend_h'], + fdend_w = pars['fdend_w'], + cm_h = pars['cm_h'], + dmf = pars['dmf'], + dms = pars['dms'], + legendon = pars['legend'], + label2cols = pars['label2cols'], + flabelon = pars['flabel'], + slabelon = pars['slabel'], + cm_ticks = pars['cm_ticks'], + legend_ncol = pars['legend_ncol'], + pad_inches = pars['pad_inches'], + legend_font_size = pars['legend_font_size'], + gridon = pars['grid'], + sdend_out = pars['sdend_out'], + fdend_out = pars['fdend_out'], + ) +