--- title: "Using beachmat to write data into R matrix objects" author: "Aaron Lun" package: beachmat output: BiocStyle::html_document vignette: > %\VignetteIndexEntry{Using beachmat to write data into R matrix objects} %\VignetteEngine{knitr::rmarkdown} %\VignetteEncoding{UTF-8} --- ```{r, echo=FALSE, results="hide", message=FALSE} require(knitr) opts_chunk$set(error=FALSE, message=FALSE, warning=FALSE) ``` # Overview of the output API This document describes the use of the `r Biocpkg("beachmat")` API for storing data in R matrices. We will demonstrate the API on numeric matrices, though same semantics are used for matrices of other types (e.g., logical, integer, character). First, we include the relevant header file: ```cpp #include "beachmat/numeric_matrix.h" ``` Three types of output matrices are supported - simple `matrix`, `*gCMatrix` and `HDF5Matrix` objects. For example, a simple numeric output matrix with `nrow` rows and `ncol` columns is created by: ```cpp // returns a std::unique_ptr object auto odmat=beachmat::create_numeric_output(nrow, ncol, beachmat::SIMPLE_PARAM); ``` A sparse matrix is similarly created by setting the last argument to `beachmat::SPARSE_PARAM`, while a `HDF5Matrix` is constructed by setting `beachmat::HDF5_PARAM`. These constants are instances of the `output_param` class that specify the type and parameters of the output matrix to be constructed. # Dynamic choice of output type Another option is to allow the function to dynamically choose the output type to match that of an existing matrix. This is useful for automatically choosing an output format that reflects the choice of input format. For example, if data are supplied to a function in a simple matrix, it would be reasonable to expect that the output is similarly small enough to be stored as a simple matrix. On the other hand, if the input is a `HDF5Matrix`, it may make more sense to return a `HDF5Matrix` object. Dynamic choice of output type is performed by using the `Rcpp::Robject` object containing the input matrix to initialize the `output_param` object. If I have a matrix object `dmat`, the output type can be matched to the input type with: ```cpp beachmat::output_param oparam(dmat, /* bool */ simplify, /* bool */ preserve_zero); auto odmat=beachmat::create_numeric_output(nrow, ncol, oparam); ``` A similar process can be used for a pointer `dptr` to an existing `*_matrix` instance: ```cpp beachmat::output_param oparam(dptr->get_matrix_type(), simplify, preserve_zero); ``` The `simplify` argument indicates whether non-`matrix` input objects should be "simplified" to a `matrix` output object. If `false`, a `HDF5Matrix` output object will be returned instead. The `preserve_zero` argument indicates whether a `*gCMatrix` input should result in a `*gCMatrix` output when `simplify=false` (for logical or double-precision data only). Exact zeroes are detected and ignored when filling this matrix. # Methods to store data ## Storing data in columns - The `set_col()` method fills column `c` with elements pointed to by an iterator `out` to a _Rcpp_ vector. `c` should be a zero-indexed integer in `[0, ncol)`, and there should be at least `nrow` accessible elements, i.e., `*out` and `*(out+nrow-1)` should be valid entries. ```cpp dptr->set_col(/* size_t */ c, /* Rcpp::Vector::iterator */ out); ``` `out` can be an iterator to a `Rcpp::NumericVector`, `Rcpp::LogicalVector` or `Rcpp::IntegerVector`; type conversions will occur as expected to the type of the output matrix. No value is returned by this method. - `set_col()` can be used with `first` and `last` arguments. This will fill column `c` from rows `first` to `last-1` with the entries from `*out` to `*(out+last-first-1)`, respectively. Both `first` and `last` should be in `[0, nrow]` and zero-indexed, with the additional requirement that `last >= first`. ```cpp dptr->set_col(/* size_t */ c, /* Rcpp::Vector::iterator */ out, /* size_t */ first, /* size_t */ last); ```` - The `set_col_indexed()` method fills column `c` with the vector of elements starting at iterator `val` at a vector of row indices starting at `idx`. Row indices can be unordered and duplicated^[But obviously they should be zero-indexed.]; later entries will override earlier ones. Note that no check is performed for the sanity of the row indices. ```cpp dptr->set_col_indexed(/* size_t */ c, /* size_t */ N, /* Rcpp::IntegerVector::iterator */ idx, /* Rcpp::Vector::iterator */ val); ``` ## Storing data in rows - The `set_row()` method fills row `r` with elements pointed to by an iterator `out` to a _Rcpp_ vector. `r` should be a zero-indexed integer in `[0, nrow)`, and there should be at least `nrow` accessible elements, i.e., `*out` and `*(out+nrow-1)` should be valid entries. No value is returned. ```cpp dptr->set_row(/* size_t */ r, /* Rcpp::Vector::iterator */ out); ``` - Filling of a range of the row can be achieved with the `first` and `last` arguments. This will fill row `r` from columns `first` to `last-1` with entries from `*out` to `*(out+last-first-1)`, respectively. Both `first` and `last` should be in `[0, ncol]` and zero-indexed, with the additional requirement that `last >= first`. ```cpp dptr->set_row(/* size_t */ r, /* Rcpp::Vector::iterator */ out, /* size_t */ first, /* size_t */ last); ``` - The `set_row_indexed()` method fills row `r` with the vector of elements starting at iterator `val` at a vector of column indices starting at `idx`. Column indices can be unordered and duplicated^[And again, zero-indexed.]; later entries will override earlier ones. Note that no check is performed for the sanity of the column indices. ```cpp dptr->set_row_indexed(/* size_t */ r, /* size_t */ N, /* Rcpp::IntegerVector::iterator */ idx, /* Rcpp::Vector::iterator */ val); ``` ## Storing data in individual cells The `set()` method fills the matrix entry at row `r` and column `c` with the double-precision value `Y`. Both `r` and `c` should be zero-indexed integers in `[0, nrow)` and `[0, ncol)` respectively. No value is returned by this method. ```cpp dptr->set(/* size_t */ r, /* size_t */ c, /* double */ Y) ``` # Returning a matrix object to R The `yield()` method returns a `Rcpp::RObject` object containing a matrix to pass to R. ```cpp dptr->yield(); ``` This is commonly used at the end of the function to return a matrix to R: ```cpp return dptr->yield(); ``` Note that this operation may involve an R-level memory allocation, which may subsequently trigger garbage collection. This is usually not a concern as `r CRANpkg("Rcpp")` is excellent at protecting against unintended collection of objects. However, one exception is that of random number generation, where the destruction of the `Rcpp::RNGScope` may trigger a collection of unprotected `SEXP`s. This will almost always be the case when using `yield()` naively, as the construction of the matrix `SEXP` is done at the end of the function: ```cpp // Possible segfault: extern "C" SEXP dummy1 () { auto odmat=beachmat::create_numeric_output(nrow, ncol, beachmat::SIMPLE_PARAM); Rcpp::RNGScope rng; // Do something with random numbers and store in odmat. return odmat->yield(); } ``` One solution is to restrict the scope of the `Rcpp::RNGScope`. This ensures that there are no unprotected `SEXP` objects upon destruction of the `RNGScope`, as `yield()` has not yet been called. ```cpp extern "C" SEXP dummy2 () { auto odmat=beachmat::create_numeric_output(nrow, ncol, beachmat::SIMPLE_PARAM); { Rcpp::RNGScope rng; // Do something with random numbers and store in odmat. } return odmat->yield(); } ``` # Methods to read data A subset of the access methods are also implemented for `numeric_output` objects: - `get_nrow()` and `get_ncol()` - `get_row()`, `get_col()` and `get()` - `get_matrix_type()` and `clone()`. These methods behave as described for `numeric_matrix` objects. They may be useful in situations where data are stored in an intermediate matrix and need to be queried before the matrix is fully filled. In most applications, though, it is possible to fully fill the output matrix, call `yield()` and then create a `numeric_matrix` from the resulting `Rcpp::RObject`. This is often faster because certain optimizations become possible when `r Biocpkg("beachmat")` knows that the supplied matrix is read-only (for example, `get_const_col()` and `get_const_col_indexed()`). # Other matrix types Logical, integer and character output matrices are supported by changing the types in the creator function (and its variants): ```cpp // returns a std::unique_ptr auto oimat=beachmat::create_integer_output(nrow, ncol, beachmat::SIMPLE_PARAM); // returns a std::unique_ptr auto olmat=beachmat::create_logical_output(nrow, ncol, beachmat::SIMPLE_PARAM); // returns a std::unique_ptr auto ocmat=beachmat::create_character_output(nrow, ncol, beachmat::SIMPLE_PARAM); ``` For integer and logical matrices, `Y` should be an integer. For character matrices, `out` should be of type `Rcpp::StringVector::iterator` and `Y` should be a `Rcpp::String` object. __Additional notes: __ - Similar to the issue discussed for data access from `numeric_matrix` objects, it is probably unwise to use anything but a `Rcpp::LogicalVector::iterator` as `out` when storing data in a `logical_output`. This is because type conversion at the C++ level will not give the same results as conversion at the R level. # HDF5-related details Creation of a `HDF5Matrix` will perform a new `getHDF5DumpFile()` call with `for.use=TRUE` to obtain a new file name for storing the HDF5 output. Similarly, the name of the data set is obtained via `getHDF5DumpName()`. Both names are recorded in the dump log via `appendDatasetCreationToHDF5DumpLog()`. This mimics the behaviour observed when `HDF5Matrix` instances are created at the R level. Similarly, the compression level and chunk dimensions will be taken from the appropriate global variables. By default, the chunk dimensions and compression level for HDF5 output are retrieved using R functions from the `r Biocpkg("HDF5Array")` package. An alternative is to directly specify the chunk dimensions using `oparam.set_chunk_dim(chunk_nr, chunk_nc)`, where `chunk_nr` and `chunk_nc` are the chunk rows and columns respectively. Similarly, the compression level can be set using `oparam.set_compression(compress)`, where `compress` can range from 0 (contiguous) to 9 (most compression). If specified, these settings will override the default behaviour, but will have no effect for non-HDF5 output. For consecutive row and column access from a matrix with dimensions `nr`-by-`nc`, the optimal chunk dimensions can be specified with `oparam.optimize_chunk_dims(nr, nc)`. _beachmat_ exploits the chunk cache to store all chunks along a row or column, thus avoiding the need to reload data for the next row or column. These chunk settings are designed to minimize the chunk cache size while also reducing the number of disk reads. HDF5 character output is stored as fixed-width character arrays. As such, the API must know the maximum string length during construction of a `character_output` instance. This can be set using `oparam.set_strlen(strlen)` where `strlen` is the length of a C-style string, _not including the null-terminating character_. Any attempts to fill the output matrix with strings larger than `strlen` will result in silent truncation. # Handling parallelization The API is not thread-safe, due to (i) the use of cached class members and (ii) the potential for race conditions when writing to the same location on disk/memory. The first issue can be solved by using `clone()` to create `*_output` copies for use in each thread. However, each copy may still read from and write to the same disk/memory location. Furthermore, even if each copy writes to different rows or columns, they are not guaranteed to affect different parts of memory. (Storage of rows of a sparse matrix, for example, is dependent on the nature of previous rows.) It is thus the responsibility of the calling function to ensure that access is locked and unlocked appropriately across multiple threads, e.g., via `#pragma omp critical`.