# .utilities.R # # Miscellaneous R code to suppport the project # # Version: 1.3.1 # Date: 2017 09 - 2019 11 # Author: Boris Steipe # # V 1.3.1 prefix Biostrings:: to subseq() # V 1.3 load msa support functions # V 1.2 update database utilities to support 2017 version of JSON sources # V 1.1 2017 updates for ABC-units # V 1.0 First code # # ToDo: # Notes: # # ============================================================================== # ====== SCRIPTS ============================================================= source("./scripts/ABC-dbUtilities.R") source("./scripts/ABC-writeALN.R") source("./scripts/ABC-writeMFA.R") # ====== SUPPORT FUNCTIONS ===================================================== objectInfo <- function(x) { # Function to combine various information items about R objects # # Input: an R object # Value: none - prints information as side-effect cat("object contents:") print(x, digits = 22) # print value at maximal precision cat("\nstructure of object:\n") str(x) if (! is.list(x)) { # Don't use cat() if x is a list. cat() can't handle lists. cat("\nmode: ", mode(x), "\n") cat("typeof: ", typeof(x), "\n") cat("class: ", class(x), "\n") } # if the object has attributes, print them too if (! is.null(attributes(x))) { cat("\nattributes:\n") attributes(x) } # Done } biCode <- function(s) { # Make a 5 character "biCode" from a binomial name by concatening # the uppercased first three letter of the first word and the first # two letters of the second word. If there is only one word, we take the # first five characters from that. Outputs are padded with "." if necessary. # NAs in input are preserved. # Parameters: # s chr vector of binomial species names # Value: chr vector of biCodes, same length as s, NAs are preserved b <- character(length(s)) s <- gsub("[^a-zA-Z ]", "", as.character(s)) # remove all non-alphabetic # characters except space s <- toupper(s) for (i in seq_along(s)) { x <- unlist(strsplit(s[i], "\\s+")) if (length(x) == 0) { # empty string x <- c("", "") } else if (length(x) == 1) { # only one string x <- c(substr(x, 1, 3), substr(x, 4, 5)) # 3 + 2 with whatever is there } x <- paste0(x[1:2], "...") # pad strings b[i] <- paste0(substr(x[1], 1, 3), substr(x[2], 1, 2)) } b[is.na(s)] <- NA # recover NAs from input return(b) } pBar <- function(i, l, nCh = 50) { # Draw a progress bar in the console # i: the current iteration # l: the total number of iterations # nCh: width of the progress bar ticks <- round(seq(1, l-1, length.out = nCh)) if (i < l) { if (any(i == ticks)) { p <- which(i == ticks)[1] # use only first, in case there are ties p1 <- paste(rep("#", p), collapse = "") p2 <- paste(rep("-", nCh - p), collapse = "") cat(sprintf("\r|%s%s|", p1, p2)) flush.console() } } else { # done cat("\n") } } waitTimer <- function(t, nIntervals = 50) { # pause and wait for t seconds and display a progress bar as # you are waiting t <- as.numeric(t) if (t < 0.1) {return(invisible())} increment <- t / nIntervals bar <- "----:----|" # One module for the progress bar: bar <- rep(bar, ceiling(nIntervals / 10)) # repeat, bar <- unlist(strsplit(bar, "")) # split into single characters, bar <- bar[1:nIntervals] # truncate, bar <- paste(bar, collapse="") # and collapse. cat(sprintf("\nWaiting: |%s\n |", bar)) for (i in 1:(nIntervals - 1)) { Sys.sleep(increment) cat("=") } Sys.sleep(increment) cat("|\n\n") return(invisible()) } fetchMSAmotif <- function(ali, mot) { # Retrieve a subset from ali that spans the sequence in mot. # Biostrings package must be installed. # Parameters: # ali MsaAAMultipleAlignment object # mot chr substring within ali # Value: AAStringset if (class(ali) != "MsaAAMultipleAlignment" && class(ali) != "MsaDNAMultipleAlignment" && class(ali) != "MsaRNAMultipleAlignment") { stop("ali has to be an msa multiple alignment object.") } if (class(mot) != "character") { stop("mot has to be a character object.") } x <- gsub("-", "", as.character(ali)) # pure sequence, no hyphens idx <- grep(mot, x)[1] # first sequence containing mot. If no match, # idx becomes NA if (is.na(idx)) { stop("mot is not a subsequence in ali.") } # Find the match range m <- regexpr(mot, x[idx]) motifStart <- as.numeric(m) motifEnd <- attr(m, "match.length") + motifStart - 1 # Count characters, skip hyphens ... x <- unlist(strsplit(as.character(ali)[idx], "")) x <- x != "-" x <- as.numeric(x) x <- cumsum(x) return(Biostrings::subseq(ali@unmasked, start = which(x == motifStart)[1], # get the first position end = which(x == motifEnd)[1])) } # ====== PDB ID selection ====================================================== selectPDBrep <- function(n) { # Select n PDB IDs from a list of high-resolution, non-homologous, single # domain, single chain structure files that represent a CATH topology # group. # Parameters n num number of IDs to return. # Value: char PDB IDs # Note: the list is loaded from an RData file in the data directory load("./data/pdbRep.RData") # loads pdbRep if (n > length(pdbRep)) { stop(sprintf("You can select no more than %d IDs.", length(pdbRep))) } set.seed(as.numeric(Sys.time())) return(sample(pdbRep, n)) } # ====== DATA ================================================================== # 10 species of fungi for reference analysis. # http://steipe.biochemistry.utoronto.ca/abc/index.php/Reference_species_for_fungi REFspecies <- c("Aspergillus nidulans", "Bipolaris oryzae", "Coprinopsis cinerea", "Cryptococcus neoformans", "Neurospora crassa", "Puccinia graminis", "Saccharomyces cerevisiae", "Schizosaccharomyces pombe", "Ustilago maydis", "Wallemia mellicola" ) # [END]