# util.array: Functions to Work with Multidimensional Arrays In CHNOSZ: Thermodynamic Calculations and Diagrams for Geochemistry

## Description

These functions can be used to turn a list into an array and extract or replace values or take the sum along a certain dimension of an array.

## Usage

 ```1 2 3 4``` ``` list2array(l) slice(arr, d = NULL, i = 1, value = NULL) dimSums(arr, d = 1, i = NULL) slice.affinity(affinity, d = 1, i = 1) ```

## Arguments

 `l` a list. `arr` an array. `d` numeric, what dimension to use. `i` numeric, what slice to use. `value` values to assign to the portion of an array specified by `d` and `i`. `affinity` list, output from `affinity` function.

## Details

`list2array` turns a list of `array`s, each with the same dimensions, into a new array having one more dimension whose size is equal to the number of initial arrays.

`slice` extracts or assigns values from/to the `i`th slice(s) in the `d`th dimension of an array. Values are assigned to an array if `value` is not NULL. This function works by building an expression containing the extraction operator (`[`).

`slice.affinity` performs a slice operation on the values element of the affinity variable (which should be the output of `affinity`).

`dimSums` sums an array along the `d`th dimension using only the `i`th slices in that dimension. If `i` is NULL, all slices in that dimension are summed together. For matrices, `dimSums(x,1)` has the same result as `colSums(x)` and `dimSums(x,2)` has the same result as `rowSums(x)`.

## Examples

 ``` 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45``` ```# start with a matrix mat <- matrix(1:12, ncol = 3) # pay attention to the following when # writing examples that test for identity! identical(1 * mat, mat) # FALSE # create two matrices that are multiples of the first a <- 1 * mat b <- 2 * mat # these both have two dimensions of lengths 4 and 3 dim(a) # 4 3 # combine them to make an array with three dimensions x <- list2array(list(a, b)) # the third dimension has length 2 dim(x) # 4 3 2 # the first slice of the third dimension slice(x, 3) # a # the second slice of the third dimension slice(x, 3, 2) # b # 'slice' works just like the bracket operator slice(x, 1) # x[1, , ] slice(x, 1, 2) # x[2, , ] slice(x, 2, 1) # x[, 1, ] slice(x, 2, 1:2) # x[, 1:2, ] # let us replace part of the array y <- slice(x, 3, 2, value = a) # now the second slice of the third dimension == a slice(y, 3, 2) # a # and the sum across the third dimension == b dimSums(y, 3) # b # taking the sum removes that dimension dim(y) # 4 3 2 dim(dimSums(y, 1)) # 3 2 dim(dimSums(y, 2)) # 4 2 dim(dimSums(y, 3)) # 4 3 # working with an 'affinity' object basis("CHNOS+") species("alanine") a1 <- affinity(O2 = c(-80, -60)) # i.e. pH=7 a2 <- affinity(O2 = c(-80, -60), pH = c(0, 14, 7)) # in the 2nd dimension (pH) get the 4th slice (pH=7) a3 <- slice.affinity(a2, 2, 4) all.equal(a1\$values, a3\$values) # TRUE ```

CHNOSZ documentation built on April 9, 2021, 9:08 a.m.