## ----include = FALSE----------------------------------------------------------
knitr::opts_chunk$set(
  collapse = TRUE,
  comment = "#>"
)

## ----eval = FALSE-------------------------------------------------------------
# # Install current version, using the install() function in the BiocManager package
# install.packages("BiocManager") # Install BiocManager if not already installed
# library("BiocManager")
# BiocManager::install("chemodiv")

## -----------------------------------------------------------------------------
# Load chemodiv
library(chemodiv)

## -----------------------------------------------------------------------------
data("alpinaSampData")

head(alpinaSampData)[,1:5]

## -----------------------------------------------------------------------------
data("alpinaCompData")

head(alpinaCompData)

## -----------------------------------------------------------------------------
chemoDivCheck(compoundData = alpinaCompData, sampleData = alpinaSampData)

## -----------------------------------------------------------------------------
data("alpinaPopData")

table(alpinaPopData)

## ----eval = FALSE-------------------------------------------------------------
# alpinaNPC <- NPCTable(compoundData = alpinaCompData)
# 
# alpinaNPC[1,] # Classification of the first compound in dataset

## ----echo = FALSE-------------------------------------------------------------
data("alpinaNPCTable")
alpinaNPC <- alpinaNPCTable
rm(alpinaNPCTable)
alpinaNPC[1,]

## ----eval = FALSE-------------------------------------------------------------
# alpinaCompDis <- compDis(compoundData = alpinaCompData,
#                          type = "PubChemFingerprint")
# 
# alpinaCompDis$fingerDisMat[1:4, 1:4] # Part of compound dissimilarity matrix

## ----echo = FALSE, message = FALSE--------------------------------------------
data("alpinaCompDis")
alpinaCompDisMat <- alpinaCompDis
rm(alpinaCompDis)
alpinaCompDis <- list()
alpinaCompDis[["fingerDisMat"]] <- alpinaCompDisMat
alpinaCompDis$fingerDisMat[1:4, 1:4]

## -----------------------------------------------------------------------------
alpinaDiv <- calcDiv(sampleData = alpinaSampData, 
                     compDisMat = alpinaCompDis$fingerDisMat,
                     type = "FuncHillDiv",
                     q = 1)

head(alpinaDiv)

## -----------------------------------------------------------------------------
alpinaDivProf <- calcDivProf(sampleData = alpinaSampData,
                             compDisMat = alpinaCompDis$fingerDisMat,
                             type = "FuncHillDiv")

head(alpinaDivProf$divProf)[,1:5] # Part of the diversity profile data frame

## -----------------------------------------------------------------------------
alpinaBetaDiv <- calcBetaDiv(sampleData = alpinaSampData,
                             compDisMat = alpinaCompDis$fingerDisMat,
                             type = "FuncHillDiv")

alpinaBetaDiv

## ----message = FALSE----------------------------------------------------------
alpinaSampDis <- sampDis(sampleData = alpinaSampData,
                         compDisMat = alpinaCompDis$fingerDisMat,
                         type = "GenUniFrac")

alpinaSampDis$GenUniFrac[1:4, 1:4] # Part of sample dissimilarity matrix

## ----message = FALSE----------------------------------------------------------
alpinaNetwork <- molNet(compDisMat = alpinaCompDis$fingerDisMat,
                        npcTable = alpinaNPC,
                        cutOff = 0.75)

summary(alpinaNetwork)

## ----fig.width = 12, fig.height = 8, out.width = "95%"------------------------
molNetPlot(sampleData = alpinaSampData,
           networkObject = alpinaNetwork$networkObject,
           npcTable = alpinaNPC,
           plotNames = TRUE)

## ----fig.width = 12, fig.height = 8, out.width = "95%"------------------------
chemoDivPlot(compDisMat = alpinaCompDis$fingerDisMat,
             divData = alpinaDiv,
             divProfData = alpinaDivProf,
             sampDisMat = alpinaSampDis$GenUniFrac,
             groupData = alpinaPopData)

## ----eval = FALSE-------------------------------------------------------------
# quickChemoDiv(compoundData = alpinaCompData,
#               sampleData = alpinaSampData,
#               groupData = alpinaPopData,
#               outputType = "plots") # Not run