R Under development (unstable) (2025-09-01 r88761 ucrt) -- "Unsuffered Consequences" Copyright (C) 2025 The R Foundation for Statistical Computing Platform: x86_64-w64-mingw32/x64 R is free software and comes with ABSOLUTELY NO WARRANTY. You are welcome to redistribute it under certain conditions. Type 'license()' or 'licence()' for distribution details. R is a collaborative project with many contributors. Type 'contributors()' for more information and 'citation()' on how to cite R or R packages in publications. Type 'demo()' for some demos, 'help()' for on-line help, or 'help.start()' for an HTML browser interface to help. Type 'q()' to quit R. > library(albatross) > data(feems) > > # absolute minimum required; skip IFE correction > cube <- feemscale(feemscatter(cube, rep(24, 4), 'pchip'), na.rm = T) ================================================================================ > > # check subsetting > subs <- c(1, 2, 4, 8) > pf <- feemparafac(cube, nfac = 3, subset = subs) | | | 0% | |======= | 10% | |============== | 20% | |===================== | 30% | |============================ | 40% | |=================================== | 50% | |========================================== | 60% | |================================================= | 70% | |======================================================== | 80% | |=============================================================== | 90% | |======================================================================| 100% > # checking values of components would be hard, > # so instead we check that dimnames are consistent > stopifnot(all.equal( + dimnames(cube[,,subs]), + # resid() uses fitted(), both need to account for subset + dimnames(resid(pf)) + )) > # also check the equivalence of the cube > stopifnot(all.equal(cube[,,subs], feemcube(pf))) > > factors <- feemparafac(cube, nfac = 3, const = rep('nonneg', 3)) | | | 0% | |======= | 10% | |============== | 20% | |===================== | 30% | |============================ | 40% | |=================================== | 50% | |========================================== | 60% | |================================================= | 70% | |======================================================== | 80% | |=============================================================== | 90% | |======================================================================| 100% > > # must return wrapped multiway::parafac object > stopifnot(inherits(factors, 'feemparafac'), inherits(factors, 'parafac')) > > # need these methods > fitted(factors) , , sample = a excitation emission 230 243.333333333333 256.666666666667 270 240 0.01201717 0.016949762 0.01723932 0.01670140 246.290322580645 0.29955195 0.963779015 0.79335894 0.82227115 252.58064516129 0.55444370 1.762514395 1.46425914 1.58762146 258.870967741935 0.77917018 2.299782528 1.95644158 2.24027975 265.161290322581 0.95159349 2.734886302 2.34858440 2.75129243 271.451612903226 1.09065743 3.046923658 2.64276514 3.16665384 277.741935483871 1.19928319 3.257184010 2.85447408 3.50141445 284.032258064516 1.29366069 3.377508963 3.00378986 3.80388126 290.322580645161 1.35808643 3.437249497 3.09111233 3.99710079 296.612903225806 1.39215653 3.230239873 3.00819968 4.17099874 302.903225806452 1.41285377 2.903100223 2.84873034 4.33599794 309.193548387097 1.36950053 2.235666360 2.44325363 4.33536183 315.483870967742 1.28527747 1.303200407 1.86148487 4.29640667 321.774193548387 1.20163360 0.701021066 1.45670808 4.14241816 328.064516129032 0.99609564 0.311590148 1.04276051 3.36257277 334.354838709677 0.89630004 0.390070590 0.98671133 2.90492859 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fitted / residuals must be of the same kind as original cube > stopifnot(is.null(attr.all.equal(cube, fitted(factors)))) > # residuals() sets an additional class of feem.resid which only affects plots > stopifnot(is.null(attr.all.equal( + # Used to call class<- here, but on R-3.3.0 it overwrites the argument + structure(cube, + class = c('feem.resid', class(cube)) + ), + residuals(factors) + ))) > > # check environment access > env <- new.env(parent = emptyenv()) > env$blablabla <- cube > factors <- feemparafac( + 'blablabla', nfac = 3, const = rep('nonneg', 3), + envir = env + ) | | | 0% | |======= | 10% | |============== | 20% | |===================== | 30% | |============================ | 40% | |=================================== | 50% | |========================================== | 60% | |================================================= | 70% | |======================================================== | 80% | |=============================================================== | 90% | |======================================================================| 100% > fitted(factors) , , sample = a excitation emission 230 243.333333333333 256.666666666667 270 240 0.01197093 0.016635053 0.01703674 0.01668104 246.290322580645 0.29957582 0.964329403 0.79379398 0.82165385 252.58064516129 0.55429417 1.763202818 1.46458314 1.58494574 258.870967741935 0.77939436 2.300723648 1.95735059 2.23915586 265.161290322581 0.95186339 2.735986056 2.34963950 2.74990753 271.451612903226 1.09095479 3.048123679 2.64390391 3.16504010 277.741935483871 1.19962313 3.258464206 2.85568599 3.49968722 284.032258064516 1.29400879 3.378774168 3.00496946 3.80193763 290.322580645161 1.35839629 3.438619586 3.09229536 3.99487706 296.612903225806 1.39247447 3.231591819 3.00927169 4.16857936 302.903225806452 1.41339556 2.903298769 2.84925047 4.33461720 309.193548387097 1.36992667 2.235673632 2.44334387 4.33337680 315.483870967742 1.28597969 1.301361384 1.86054483 4.29586229 321.774193548387 1.20237088 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384.6774 [25] 390.9677 397.2581 403.5484 409.8387 416.1290 422.4194 428.7097 435.0000 attr(,"excitation") [1] 230.0000 243.3333 256.6667 270.0000 283.3333 296.6667 310.0000 323.3333 [9] 336.6667 350.0000 attr(,"scales") a b c d e f g h 1.1042345 0.8965089 0.6881108 1.5155782 1.2711130 0.8346206 1.0574881 0.9943687 i j k l 1.1830328 0.7978363 1.0150399 1.4239883 attr(,"class") [1] "feem.resid" "feemcube" > stopifnot(all.equal(cube, feemcube(factors))) > > # dimnames should be assigned > stopifnot( + dimnames(cube)[[1]] == rownames(factors$A), + dimnames(cube)[[2]] == rownames(factors$B), + dimnames(cube)[[3]] == rownames(factors$C) + ) > > # coef must return data.frames or lists with correct contents > coefnames <- list( + emission = c('wavelength', 'value', 'factor'), + excitation = c('wavelength', 'value', 'factor'), + samples = c('sample', 'value', 'factor'), + scores = c('sample', 'value', 'factor'), + loadings = c('wavelength', 'value', 'factor', 'mode') + ) > for (n in names(coefnames)) + stopifnot(all.equal(colnames(coef(factors, n)), coefnames[[n]])) > allnames <- c('emission', 'excitation', 'samples') > stopifnot(all.equal(names(coef(factors, 'all')), allnames)) > for (n in allnames) + stopifnot(all.equal( + colnames(coef(factors, 'all')[[n]]), + coefnames[[n]] + )) > > # reorder, rescale without like= should still work > stopifnot( + inherits(reorder(pf, 3:1), 'feemparafac'), + inherits(rescale(pf, mode = 'C', newscale = 2, absorb = 'A'), 'feemparafac') + ) > > stopifnot( + inherits( + # rescale with not all arguments specified should still work + rescale(pf, 'A', absorb = 'C'), + 'feemparafac' + ) + ) > > # reorder(like=...) must order the components to match > stopifnot( + identical( + reorder( + reorder(pf, 3:1), + like = pf + ), + pf + ) + ) > > # round-trip reorder() and rescale() in both forms > all.equal( + factors, + rescale( + reorder( + reorder( + rescale(factors, mode = 'C', newscale = 2, absorb = 'A'), + 3:1 + ), + like = factors + ), + like = factors + ), + tolerance = .Machine$double.eps^(1/3) + ) [1] TRUE > > pf.1 <- feemparafac(cube, nfac = 1, subset = subs) | | | 0% | |======= | 10% | |============== | 20% | |===================== | 30% | |============================ | 40% | |=================================== | 50% | |========================================== | 60% | |================================================= | 70% | |======================================================== | 80% | |=============================================================== | 90% | |======================================================================| 100% > tools::assertError(reorder(pf.1, neworder = 2)) > pf.1 <- reorder(pf.1, neworder = 1) > stopifnot(is.matrix(pf.1$A)) > # previously failed due to [.feemcube drop=TRUE > pf.1 <- feemparafac(cube[,, 1, drop = FALSE], nfac = 1) | | | 0% | |======= | 10% | |============== | 20% | |===================== | 30% | |============================ | 40% | |=================================== | 50% | |========================================== | 60% | |================================================= | 70% | |======================================================== | 80% | |=============================================================== | 90% | |======================================================================| 100% > pf.1 <- feemparafac(cube, nfac = 1, subset = 1) | | | 0% | |======= | 10% | |============== | 20% | |===================== | 30% | |============================ | 40% | |=================================== | 50% | |========================================== | 60% | |================================================= | 70% | |======================================================== | 80% | |=============================================================== | 90% | |======================================================================| 100% > > # scores.{sum,peak,int} must be invariant with respect to scaling > stopifnot( + all.equal( + coef( + rescale(factors, mode = 'A', newscale = 2, absorb = 'C'), + 'scores.peak' + ), + coef( + rescale(factors, mode = 'C', newscale = 2, absorb = 'A'), + 'scores.peak' + ) + ), + all.equal( + coef( + rescale(factors, mode = 'A', newscale = 2, absorb = 'C'), + 'scores.sum' + ), + coef( + rescale(factors, mode = 'C', newscale = 2, absorb = 'A'), + 'scores.sum' + ) + ), + all.equal( + coef( + rescale(factors, mode = 'A', newscale = 2, absorb = 'C'), + 'scores.int' + ), + coef( + rescale(factors, mode = 'C', newscale = 2, absorb = 'A'), + 'scores.int' + ) + ), + all.equal(dim(coef(factors, 'scores')), dim(coef(factors, 'scores.sum'))), + all.equal(dim(coef(factors, 'scores')), dim(coef(factors, 'scores.peak'))), + all.equal(dim(coef(factors, 'scores')), dim(coef(factors, 'scores.int'))) + ) > > ## test scores.int with a known area (doesn't check corner cases) > ones <- feemcube(list(feem(matrix(1, 11, 6), seq(400, 500, 10), seq(300, 400, 20))), TRUE) > pf.1 <- feemparafac(ones, 1) | | | 0% | |======= | 10% | |============== | 20% | |===================== | 30% | |============================ | 40% | |=================================== | 50% | |========================================== | 60% | |================================================= | 70% | |======================================================== | 80% | |=============================================================== | 90% | |======================================================================| 100% > # area is 100 * 100 nm^2 * 1 AU > stopifnot(all.equal(coef(pf.1, 'scores.int')$value, 10000)) > > proc.time() user system elapsed 4.25 0.32 4.54