# VirtualDB access for DTO input preparation. # # labretriever is a Python package. It is reached through reticulate rather than # being reimplemented in R, so that the binding/perturbation views, the # sample_id normalisation, and the measurement-to-metadata join all come from # the same code that backs tfbpshiny. # # The venv defaults to the tfbpshiny one because labretriever is not installed # on the system python. Override with the LABRETRIEVER_VENV environment # variable. library(cli) library(here) # Cache of the VirtualDB handle, keyed by config path. VirtualDB registers every # view on construction, so building it repeatedly is expensive. .dto_vdb_cache <- new.env(parent = emptyenv()) #' Return a labretriever VirtualDB handle #' #' @param config_path Path to the VirtualDB YAML collection config. #' @param venv Path to a virtualenv with labretriever installed. #' @param token HuggingFace token. Falls back to the HF_TOKEN env var, then NULL. #' @param local_files_only Skip HuggingFace network checks and use only what is #' already cached locally. Much faster on warm restarts. #' @param refresh Rebuild the handle even if one is cached. #' @return A python VirtualDB object. dto_vdb <- function(config_path = here("brentlab_yeast_collection.yaml"), venv = Sys.getenv("LABRETRIEVER_VENV", "~/projects/tfbpshiny/.venv"), token = Sys.getenv("HF_TOKEN", ""), local_files_only = FALSE, refresh = FALSE) { config_path <- normalizePath(config_path, mustWork = TRUE) key <- config_path if (!refresh && !is.null(.dto_vdb_cache[[key]])) { return(.dto_vdb_cache[[key]]) } reticulate::use_virtualenv(path.expand(venv), required = TRUE) labretriever <- reticulate::import("labretriever") cli_alert_info("Initializing VirtualDB from {.file {config_path}} ...") vdb <- labretriever$VirtualDB( config_path, token = if (nzchar(token)) token else NULL, local_files_only = local_files_only ) cli_alert_success("VirtualDB ready ({length(vdb$get_datasets())} datasets).") .dto_vdb_cache[[key]] <- vdb vdb } #' Run SQL against the VirtualDB connection, discarding the result #' #' `vdb$query()` always calls `fetchdf()`, which is fine for DDL and COPY but #' returns a throwaway frame. This wrapper makes the intent explicit at the call #' site. #' #' @param vdb A VirtualDB handle. #' @param sql SQL to execute. #' @return `invisible(NULL)`. dto_execute <- function(vdb, sql) { vdb$query(sql) invisible(NULL) } #' Register the target universe as a temp table #' #' The universe is the set of protein-coding, non-dubious loci that both the #' binding and perturbation sides are restricted to. It is read directly from a #' parquet rather than through a VirtualDB view because the features table is #' not registered as a dataset in the collection YAML. #' #' @param vdb A VirtualDB handle. #' @param features_path Parquet with a `locus_tag` column. #' @param locus_col Name of the locus tag column in that parquet. #' @return `invisible(n)`, the number of loci registered. dto_register_universe <- function(vdb, features_path = "~/projects/huggingface/mahendrawada_2025/features_mahendrawada_2025.parquet", locus_col = "locus_tag") { features_path <- normalizePath(path.expand(features_path), mustWork = TRUE) dto_execute(vdb, glue::glue( "CREATE OR REPLACE TEMP TABLE dto_universe AS SELECT DISTINCT {locus_col} AS locus_tag FROM read_parquet('{features_path}') WHERE {locus_col} IS NOT NULL" )) n <- vdb$query("SELECT COUNT(*) AS n FROM dto_universe")$n[[1]] cli_alert_info("Target universe: {n} loci from {.file {basename(features_path)}}.") invisible(n) } #' Map db_name -> (hf_repo, hf_config) #' #' `vdb$db_name_map` is the same mapping that produces the `repo;config;sample_id` #' composite IDs used downstream, so nothing needs to hard-code those prefixes. #' #' @param vdb A VirtualDB handle. #' @param db_names db_names to look up. Defaults to every dataset in the config. #' @return A tibble with `db_name`, `hf_repo`, `hf_config`. dto_hf_coords <- function(vdb, db_names = NULL) { name_map <- reticulate::py_to_r(vdb$db_name_map) if (is.null(db_names)) db_names <- names(name_map) missing <- setdiff(db_names, names(name_map)) if (length(missing)) { cli_abort("db_name{?s} not present in the collection: {.val {missing}}") } tibble::tibble( db_name = db_names, hf_repo = vapply(db_names, function(x) as.character(name_map[[x]][[1]]), character(1)), hf_config = vapply(db_names, function(x) as.character(name_map[[x]][[2]]), character(1)) ) }