require_relative '../../lazar/lib/lazar' include OpenTox #$mongo.database.drop #$gridfs = $mongo.database.fs # recreate GridFS indexes # compare duplicates within datasets #old = Dataset.from_csv_file File.join(File.dirname(__FILE__),"regression","LOAEL_mmol_corrected_smiles.csv") old = Dataset.from_csv_file File.join(File.dirname(__FILE__),"regression","LOAEL_mg_corrected_smiles_mmol.csv") #new = Dataset.from_csv_file File.join(File.dirname(__FILE__),"regression","swissRat_chron_LOAEL.csv") new = Dataset.from_csv_file File.join(File.dirname(__FILE__),"regression","swissRat_chron_LOAEL_mmol.csv") #combined = Dataset.from_csv_file File.join(File.dirname(__FILE__),"regression","LOAEL-rat-combined.csv") compound_vector = [] value_vector = [] dataset_vector = [] vars = [] [old, new].each do |dataset| vars << [] #vars[dataset.name] = [] p dataset.name p dataset.compounds.size p dataset.duplicates(dataset.features.first).size dataset.duplicates.each do |cid,values| R.assign "values", values var = R.eval("var(-log(values))").to_f vars.last << var #smi = Compound.find(cid).smiles smi = cid.to_s values.each do |val| compound_vector << smi value_vector << - Math.log(val) dataset_vector << dataset.name end #vars << { :var => var, :values => values, :smiles => smi } end #vars.sort!{|a,b| a[:var] <=> b[:var]} #vars.each do |dup| #dup[:values].each do |v| #compound_vector << dup[:smiles] #value_vector << v #end #end end p vars # TODO statistical test for variances R.assign "vars1", vars[0] R.assign "vars2", vars[1] print "p-value: #{R.eval("t.test(vars1,vars2)$p.value").to_f}" R.assign "smi", compound_vector R.assign "values", value_vector R.assign "dataset", dataset_vector R.eval "df <- data.frame(factor(smi),values,factor(dataset))" R.eval "df$smi <- reorder(df$factor.smi,df$values)" R.eval "img <- ggplot(df, aes(smi,values,ymin = min(values), ymax=max(values),color=dataset))" R.eval "img <- img + ylab('-log(LOAEL mg/kg_bw/day)') + xlab('Compound') + theme(axis.text.x = element_blank())" R.eval "img <- img + geom_point()" #R.eval "img <- img + scale_x_discrete(breaks=NULL) + geom_point() + coord_flip()"# + xlab('-log(LOAEL)'), ylab('Compound')" #R.eval "ggsave(file='/home/ch/opentox/lazar-nestec-data/loael_variance.svg', plot=img)" R.eval "ggsave(file='/home/ch/opentox/lazar-nestec-data/loael-variance.svg', plot=img,width=12, height=8)"