From 9b8f370252b8e282e7e07a42e1e248aeeabf9f8b Mon Sep 17 00:00:00 2001
From: Ruben <hartensteinruben@gmail.com>
Date: Wed, 20 Jan 2021 10:07:29 +0100
Subject: [PATCH] Batch file for automatic conversion added

---
 .Rhistory                  |    0
 AutoConversion.cmd         |    1 +
 DPT/Rng02_Rng2630_01_0.DPT | 1744 ++++++++++++++++++++++++++++++++++++
 OpusData.R                 |    4 +
 OpusData.Rout              |   65 ++
 5 files changed, 1814 insertions(+)
 delete mode 100644 .Rhistory
 create mode 100644 AutoConversion.cmd
 create mode 100644 DPT/Rng02_Rng2630_01_0.DPT
 create mode 100644 OpusData.Rout

diff --git a/.Rhistory b/.Rhistory
deleted file mode 100644
index e69de29..0000000
diff --git a/AutoConversion.cmd b/AutoConversion.cmd
new file mode 100644
index 0000000..7fb6404
--- /dev/null
+++ b/AutoConversion.cmd
@@ -0,0 +1 @@
+R CMD BATCH --no-save OpusData.R
diff --git a/DPT/Rng02_Rng2630_01_0.DPT b/DPT/Rng02_Rng2630_01_0.DPT
new file mode 100644
index 0000000..6ab46a5
--- /dev/null
+++ b/DPT/Rng02_Rng2630_01_0.DPT
@@ -0,0 +1,1744 @@
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diff --git a/OpusData.R b/OpusData.R
index 054d64f..ce09f66 100644
--- a/OpusData.R
+++ b/OpusData.R
@@ -14,6 +14,10 @@ file_path <- paste(path, file_name, sep = "")
 
 # Convert opus binary file into extractable data
 data <- read_opus_univ(file_path, extract = "spc",atm_comp_minus4offset = FALSE)
+
+#Cut the beginning (ugly solution)
+file_path <- substr(file_path, start = 4, stop = nchar(file_path))
+
 # Extract data
 data_x_values <- data[[file_path]]$wavenumbers
 data_y_values <- as.numeric(data[[file_path]]$spc[1,])
diff --git a/OpusData.Rout b/OpusData.Rout
new file mode 100644
index 0000000..71e1cf7
--- /dev/null
+++ b/OpusData.Rout
@@ -0,0 +1,65 @@
+
+R version 4.0.3 (2020-10-10) -- "Bunny-Wunnies Freak Out"
+Copyright (C) 2020 The R Foundation for Statistical Computing
+Platform: x86_64-w64-mingw32/x64 (64-bit)
+
+R ist freie Software und kommt OHNE JEGLICHE GARANTIE.
+Sie sind eingeladen, es unter bestimmten Bedingungen weiter zu verbreiten.
+Tippen Sie 'license()' or 'licence()' für Details dazu.
+
+R ist ein Gemeinschaftsprojekt mit vielen Beitragenden.
+Tippen Sie 'contributors()' für mehr Information und 'citation()',
+um zu erfahren, wie R oder R packages in Publikationen zitiert werden können.
+
+Tippen Sie 'demo()' für einige Demos, 'help()' für on-line Hilfe, oder
+'help.start()' für eine HTML Browserschnittstelle zur Hilfe.
+Tippen Sie 'q()', um R zu verlassen.
+
+> #!/usr/bin/env Rscript
+> 
+> # Package installation, execute once
+> #if (!require("remotes")) install.packages("remotes")
+> #remotes::install_github("philipp-baumann/simplerspec")
+> 
+> # Attach package to workspace, execute with every new session
+> library("simplerspec")
+Lade nötiges Paket: foreach
+> 
+> # Determine file path
+> path <- paste(getwd(), "\\OPUS\\", sep = "")
+> file_name <- "Rng02_Rng2630_01.0"
+> file_path <- paste(path, file_name, sep = "")
+> 
+> # Convert opus binary file into extractable data
+> data <- read_opus_univ(file_path, extract = "spc",atm_comp_minus4offset = FALSE)
+Extracted spectra data from file: <OpusData\OPUS\Rng02_Rng2630_01.0>
+> 
+> #Cut the beginning (ugly solution)
+> file_path <- substr(file_path, start = 4, stop = nchar(file_path))
+> 
+> # Extract data
+> data_x_values <- data[[file_path]]$wavenumbers
+> data_y_values <- as.numeric(data[[file_path]]$spc[1,])
+> 
+> # Set working directory to path where the result file should appear
+> setwd(paste(path, "..\\DPT", sep = ""))
+> 
+> # Convert data into dataframe
+> data <- data.frame(data_x_values, data_y_values, row.names = NULL)
+> 
+> # Replace last "." with "_", add ".DPT" and create file
+> file_name <- paste(sub(".([^.]*)$", "_\\1", file_name), ".DPT", sep = "")
+> file.create(file_name)
+[1] TRUE
+> 
+> # Fill file with dataframe
+> write.table(data, file_name, row.names = FALSE, col.names = FALSE, sep=",")
+> 
+> 
+> 
+> 
+> 
+> 
+> proc.time()
+       User      System verstrichen 
+       0.50        0.12        0.67