test_that("Estimate Peak Positions", { filename <- xrd.getSampleFiles(fileExt = 'asc')[1] d <- xrd.read.ASC(filename) peakPos <- c() for(j in 1:7) { d1 <- d %>% filter(theta < j*10+2 & theta > (j-1)*10+2) p <- xrd.peakEstimate(d1$theta, d1$I) peakPos <- c(peakPos, p$th0) } # plot(d$theta, d$I, log='y', col='red'); abline(v=peakPos,lwd=2) expect_equal(peakPos, c(4.00000,15.68684,30.93947, 38.31316,44.63632,61.99000,69.36368), tolerance = 1e-4) })