## ----include = FALSE---------------------------------------------------------- knitr::opts_chunk$set( collapse = TRUE, comment = "#>", error = FALSE ) ## ----load_xvm----------------------------------------------------------------- # Load the xvm package library(xvm) ## ----dependency_packages, message=FALSE, error=FALSE-------------------------- # Load dependency packages library(ggplot2) ## ----get_file_path------------------------------------------------------------ # This example file is an xvg file containing RMSD data generated by GROMACS rmsd_file_path <- system.file("extdata/rmsd.xvg", package = "xvm") ## ----read_single_xvg_file----------------------------------------------------- # Read the xvg file using read_xvg() function rmsd_data <- read_xvg(rmsd_file_path) # The imported xvg file is stored as a list, with the list name corresponding to the file name. names(rmsd_data) ## ----show_xvg_content--------------------------------------------------------- str(rmsd_data[[1]]) ## ----plot_single_xvg_file, dpi = 90, fig.width=5, fig.height=5---------------- # Plot the xvg data using plot_xvg() function plot_xvg(rmsd_data) ## ----read_multiple_xvg_files-------------------------------------------------- # Similarly, you can also read multiple types of xvg files. multi_file_path <- dir(system.file("extdata", package = "xvm")) # Filter out xvg files using stringr package library(stringr) multi_file_path <- multi_file_path[str_detect(multi_file_path, ".xvg")] print(multi_file_path) # Set the full xvg file paths multi_file_path <- file.path(system.file("extdata", package = "xvm"), multi_file_path ) ## ----batch_read--------------------------------------------------------------- # Read multiple xvg files at once in batch: multi_data <- read_xvg(multi_file_path) names(multi_data) ## ----inspect_read------------------------------------------------------------- # Check the first xvg file info via indexing str(multi_data[[1]]) ## ----plot_a_single_xvg_file, dpi = 90, fig.width=5, fig.height=5-------------- # Plot one of the xvg files using the plot_xvg() function: plot_xvg(multi_data[[1]]) ## ----plot_multiple_xvg_file--------------------------------------------------- # Use lapply() to plot all the xvg files in batch mutli_xvg_plots <- lapply(multi_data, plot_xvg) ## ----arrange_xvg_plots, dpi = 90, fig.width=8, fig.height=5, message=FALSE---- # Arrange the plots using ggpubr library(ggpubr) ggarrange(plotlist = mutli_xvg_plots)