klassez 0.1.0__tar.gz

klassez-0.1.0/LICENSE.txt

@@ -0,0 +1,21 @@
+MIT License
+
+Copyright (c) 2023 Francesco Bruno
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

klassez-0.1.0/MANIFEST.in

@@ -0,0 +1,3 @@
+include test/*
+include docs/*
+include klassez/tables/*

klassez-0.1.0/PKG-INFO

@@ -0,0 +1,41 @@
+Metadata-Version: 2.4
+Name: klassez
+Version: 0.1.0
+Summary: A collection of functions for NMR data handling
+Author: Letizia Fiorucci
+Author-email: Francesco Bruno <bruno@cerm.unifi.it>
+License-Expression: MIT
+Project-URL: Homepage, https://github.com/MetallerTM/klassez
+Project-URL: Repository, https://github.com/MetallerTM/klassez.git
+Project-URL: Documentation, https://klassez.readthedocs.io
+Keywords: NMR,data processing,spectroscopy
+Classifier: Programming Language :: Python :: 3
+Classifier: Operating System :: OS Independent
+Requires-Python: >=3.10
+Description-Content-Type: text/markdown
+License-File: LICENSE.txt
+Requires-Dist: numpy
+Requires-Dist: scipy
+Requires-Dist: lmfit
+Requires-Dist: numdifftools
+Requires-Dist: seaborn
+Requires-Dist: nmrglue
+Requires-Dist: matplotlib>=3.8
+Requires-Dist: csaps
+Provides-Extra: jeolproc
+Requires-Dist: jeol_parser; extra == "jeolproc"
+Dynamic: license-file
+
+# **KLASSEZ**
+
+The **KLASSEZ** package is a collection of classes and functions to handle NMR data.
+
+It is organized in modules, each of which contains functions dedicated to specific tasks.
+
+Some of the functions employed by **KLASSEZ** are taken from the NMRGLUE package and modified to suit the needs of the **KLASSEZ** package itself.
+
+---
+
+**KLASSEZ** is developed and tested on *Ubuntu 22.04 LTS*. Other OS should encounter no issues; however, if it raises any errors, please notify.
+
+Full documentation is available at https://klassez.readthedocs.io/latest/.

klassez-0.1.0/README.md

@@ -0,0 +1,13 @@
+# **KLASSEZ**
+
+The **KLASSEZ** package is a collection of classes and functions to handle NMR data.
+
+It is organized in modules, each of which contains functions dedicated to specific tasks.
+
+Some of the functions employed by **KLASSEZ** are taken from the NMRGLUE package and modified to suit the needs of the **KLASSEZ** package itself.
+
+---
+
+**KLASSEZ** is developed and tested on *Ubuntu 22.04 LTS*. Other OS should encounter no issues; however, if it raises any errors, please notify.
+
+Full documentation is available at https://klassez.readthedocs.io/latest/.

klassez-0.1.0/docs/Makefile

@@ -0,0 +1,20 @@
+# Minimal makefile for Sphinx documentation
+#
+
+# You can set these variables from the command line, and also
+# from the environment for the first two.
+SPHINXOPTS    ?=
+SPHINXBUILD   ?= sphinx-build
+SOURCEDIR     = source
+BUILDDIR      = build
+
+# Put it first so that "make" without argument is like "make help".
+help:
+	@$(SPHINXBUILD) -M help "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)
+
+.PHONY: help Makefile
+
+# Catch-all target: route all unknown targets to Sphinx using the new
+# "make mode" option.  $(O) is meant as a shortcut for $(SPHINXOPTS).
+%: Makefile
+	@$(SPHINXBUILD) -M $@ "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)

klassez-0.1.0/docs/make.bat

@@ -0,0 +1,35 @@
+@ECHO OFF
+
+pushd %~dp0
+
+REM Command file for Sphinx documentation
+
+if "%SPHINXBUILD%" == "" (
+	set SPHINXBUILD=sphinx-build
+)
+set SOURCEDIR=source
+set BUILDDIR=build
+
+%SPHINXBUILD% >NUL 2>NUL
+if errorlevel 9009 (
+	echo.
+	echo.The 'sphinx-build' command was not found. Make sure you have Sphinx
+	echo.installed, then set the SPHINXBUILD environment variable to point
+	echo.to the full path of the 'sphinx-build' executable. Alternatively you
+	echo.may add the Sphinx directory to PATH.
+	echo.
+	echo.If you don't have Sphinx installed, grab it from
+	echo.https://www.sphinx-doc.org/
+	exit /b 1
+)
+
+if "%1" == "" goto help
+
+%SPHINXBUILD% -M %1 %SOURCEDIR% %BUILDDIR% %SPHINXOPTS% %O%
+goto end
+
+:help
+%SPHINXBUILD% -M help %SOURCEDIR% %BUILDDIR% %SPHINXOPTS% %O%
+
+:end
+popd

klassez-0.1.0/docs/requirements.txt

@@ -0,0 +1,10 @@
+sphinx>=8.2.3
+sphinx-rtd-theme>=2.0.0
+numpydoc
+numpy
+scipy
+lmfit
+seaborn
+nmrglue
+matplotlib>=3.8
+csaps