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Add a codespell section in setup.cfg in the process.
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DimitriPapadopoulos committed Jan 12, 2022
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12 changes: 6 additions & 6 deletions doc/source/devel/index.rst
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.. _development-guide:

==================
Developement Guide
==================
=================
Development Guide
=================

This guide provides instructions for setting up an environment for developing
nmrglue and an overview of the project layout and contribution process.
Expand Down Expand Up @@ -96,7 +96,7 @@ Unpack this archive in the ``examples`` directory. Run the
``make_links.sh`` shell script to make symbolic links to the test data which
reused in a number of example. On operating systems which do not support
symbolic links (Windows), the data in the test data directory will need to be
copied by hand into the appropiate locations.
copied by hand into the appropriate locations.


Project Layout
Expand Down Expand Up @@ -132,7 +132,7 @@ Suggestions
When working with the nmrglue source code please consider the following when
preparing patches.

* Coding Style : The nmrglue source code trys to follow the
* Coding Style : The nmrglue source code tries to follow the
`PEP8 <http://www.python.org/dev/peps/pep-0008/>`_ style guide. Consider
using a tool, such as `pep8 <http://pypi.python.org/pypi/pep8>`__ or
`pylint <https://pylint.org/>`_ to check your Python code against
Expand Down Expand Up @@ -181,7 +181,7 @@ In addition, the location of the the test data sets must be specified in the
In order to run all nmrglue unit tests, the tests data sets must be
downloaded, unpacked, and the all conversions scripts contained in the
archive must be run. Many of these scripts require additional NMR software
(NMRPipe, etc), see the ``README`` file in the test data achive for additional
(NMRPipe, etc), see the ``README`` file in the test data archive for additional
details. A subset of the full test suite can be run without installing any
additional software.

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2 changes: 1 addition & 1 deletion doc/source/examples/apod_viewer_1win.rst
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Expand Up @@ -12,7 +12,7 @@ In this application users can examine graphically the apodization windows
produced by the various window functions supported by NMRPipe. In this example
the canvas in which the apodization windows are drawn and the location to input
the apodization parameter are contained in the same window. The
:ref:`apod_viewer_2win` example has the canvas and input area in seperate
:ref:`apod_viewer_2win` example has the canvas and input area in separate
windows.

[:download:`source code <../../../examples/sample_applications/apod_viewer_1win.py>`]
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2 changes: 1 addition & 1 deletion doc/source/examples/apod_viewer_2win.rst
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Expand Up @@ -11,7 +11,7 @@ additional python modules like
In this application users can examine graphically the apodization windows
produced by the various window functions supported by NMRPipe. In this example
the canvas in which the apodization windows are drawn and the location to input
the apodization parameter are contained in two seperate same window. The
the apodization parameter are contained in two separate same window. The
:ref:`apod_viewer_1win` example has the canvas and input area in a single
window.

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4 changes: 2 additions & 2 deletions doc/source/examples/integrate_1d.rst
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Expand Up @@ -5,8 +5,8 @@ integration example: integrate_1d

This example shows how to use nmrglue to integrate a 1D NMRPipe spectra. The
script reads in ppm peak limits from ``limits.in`` and takes a simple
summation integral of each peak using the spectra contained in ``1d_data.ft``. The integration values are writting to ``area.out`` and a plot is make showing
the integration limits and values overlayed on the spectra to ``plot.png``.
summation integral of each peak using the spectra contained in ``1d_data.ft``. The integration values are writing to ``area.out`` and a plot is make showing
the integration limits and values overlaid on the spectra to ``plot.png``.

The data used in this example is available for
`download. <https://storage.googleapis.com/google-code-archive-downloads/v2/code.google.com/nmrglue/example_integrate_1d.zip>`_
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2 changes: 1 addition & 1 deletion doc/source/examples/integrate_2d.rst
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Expand Up @@ -6,7 +6,7 @@ integration example: integrate_2d
This example shows how to use nmrglue to integrate a 2D NMRPipe spectra. The
script reads in point limits from ``limits.in`` and takes a simple
summation integral of all points in each box described. The integrated
volumes are writting to ``volumes.out``. For a method to graphically examine
volumes are writing to ``volumes.out``. For a method to graphically examine
these limits see :ref:`plot_2d_boxes`. Similarly to check the peak
assignments see :ref:`plot_2d_assignments`.

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6 changes: 3 additions & 3 deletions doc/source/reference/bruker.rst
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Expand Up @@ -11,7 +11,7 @@ User Information
User Functions
^^^^^^^^^^^^^^

These are functions which are targetted for users of nmrglue.
These are functions which are targeted for users of nmrglue.

.. autosummary::
:toctree: generated/
Expand All @@ -38,8 +38,8 @@ These are functions which are targetted for users of nmrglue.



Developer Infomation
--------------------
Developer Information
---------------------

.. include:: ../../../nmrglue/fileio/bruker.py
:start-line: 11
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2 changes: 1 addition & 1 deletion doc/source/reference/convert.rst
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Expand Up @@ -11,7 +11,7 @@ User Information
User Classes
^^^^^^^^^^^^

This class is targetted for users of nmrglue.
This class is targeted for users of nmrglue.

.. autoclass:: converter
:members:
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4 changes: 2 additions & 2 deletions doc/source/reference/nmrml.rst
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Expand Up @@ -18,8 +18,8 @@ User Functions

read

Developer Infomation
--------------------
Developer Information
---------------------

Developer Functions
^^^^^^^^^^^^^^^^^^^
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4 changes: 2 additions & 2 deletions doc/source/reference/rnmrtk.rst
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Expand Up @@ -27,8 +27,8 @@ User Functions
create_dic


Developer Infomation
--------------------
Developer Information
---------------------

Developer Functions
^^^^^^^^^^^^^^^^^^^
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4 changes: 2 additions & 2 deletions doc/source/reference/simpson.rst
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Expand Up @@ -24,8 +24,8 @@ User Functions
read_raw_bin_2d
read_binary

Developer Infomation
--------------------
Developer Information
---------------------

Developer Functions
^^^^^^^^^^^^^^^^^^^
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4 changes: 2 additions & 2 deletions doc/source/reference/tecmag.rst
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Expand Up @@ -18,8 +18,8 @@ User Functions
guess_udic


Developer Infomation
--------------------
Developer Information
---------------------

.. include:: ../../../nmrglue/fileio/tecmag.py
:start-line: 4
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4 changes: 2 additions & 2 deletions doc/source/reference/varian.rst
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Expand Up @@ -32,8 +32,8 @@ User Functions
create_dic


Developer Infomation
--------------------
Developer Information
---------------------

.. include:: ../../../nmrglue/fileio/varian.py
:start-line: 8
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2 changes: 1 addition & 1 deletion doc/source/tutorial.rst
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Expand Up @@ -313,7 +313,7 @@ reference your data in more common NMR units nmrglue provides the
>>> uc1 = ng.pipe.make_uc(dic,data,dim=1)

We now have unit conversion objects for both axes in the 2D spectrum. We can
use these objects to determined the nearest point for a given unit:
use these objects to determine the nearest point for a given unit:

>>> uc0("100.0 ppm")
1397
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2 changes: 1 addition & 1 deletion examples/bruker_processed_1d/dig_filter_remove.py
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Expand Up @@ -24,7 +24,7 @@
pipe_precorr_frq = ng.pipe.read('pre.ft')[1][::-1]
pipe_precorr_frq = ng.proc_autophase.autops(pipe_precorr_frq, 'peak_minima')

#---data processed using NMRPipe (post-procesing)
#---data processed using NMRPipe (post-processing)
pipe_postcorr_frq = ng.pipe.read('post.ft')[1][::-1]
pipe_postcorr_frq = ng.proc_autophase.autops(pipe_postcorr_frq, 'acme')

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2 changes: 1 addition & 1 deletion examples/coadd/coadd_1d_pipe/coadd_1d.py
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Expand Up @@ -8,7 +8,7 @@
flist = glob.glob("test*.fid")
flist.sort()

# initilize the new data
# initialize the new data
dic, data = ng.pipe.read(flist[0])
coadd_data = np.zeros_like(data)
coadd_dic = dict(dic)
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2 changes: 1 addition & 1 deletion examples/coadd/coadd_2d_pipe/coadd_2d.py
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Expand Up @@ -8,7 +8,7 @@
flist = glob.glob("test*.fid")
flist.sort()

# initilize the new data
# initialize the new data
dic, data = ng.pipe.read(flist[0])
coadd_data = np.zeros_like(data)
coadd_dic = dict(dic)
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2 changes: 1 addition & 1 deletion examples/coadd/coadd_pseudo3d_pipe/coadd_pseudo3d.py
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Expand Up @@ -16,7 +16,7 @@
# loop over the files
for base_fname in flist:

# initilize the new data
# initialize the new data
dic, data = ng.pipe.read(base_fname)
coadd_data = np.zeros_like(data)
coadd_dic = dict(dic)
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2 changes: 1 addition & 1 deletion examples/convert/agilent2pipe_2d/agilent2pipe_2d.py
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Expand Up @@ -17,7 +17,7 @@
udic[1]['car'] = 55.0 * 125.691; udic[0]['car'] = 120.0 * 50.648
udic[1]['label'] = '13C' ; udic[0]['label'] = '15N'

# create the converter object and initilize with Agilent data
# create the converter object and initialize with Agilent data
C = ng.convert.converter()
C.from_varian(dic, data, udic)

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Expand Up @@ -17,7 +17,7 @@
u[1]['car'] = 101.274 * 125.681 ; u[0]['car'] = 101.274 * 125.681
u[1]['label'] = 'C13x' ; u[0]['label'] = 'C13y'

# create the converter object and initilize with Agilent data
# create the converter object and initialize with Agilent data
C = ng.convert.converter()
C.from_varian(dic, data, u)

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2 changes: 1 addition & 1 deletion examples/convert/agilent2pipe_3d/agilent2pipe_3d.py
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Expand Up @@ -37,7 +37,7 @@
udic[0]['label'] = 'CA'


# create the converter object and initilize with Agilent data
# create the converter object and initialize with Agilent data
C = ng.convert.converter()
C.from_varian(dic, data, udic)

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2 changes: 1 addition & 1 deletion examples/convert/bruker2pipe_1d/bruker2pipe_1d.py
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Expand Up @@ -15,7 +15,7 @@
udic[0]['car'] = 4.773 * 600.133
udic[0]['label'] = '1H'

# create the converter object and initilize with Bruker data
# create the converter object and initialize with Bruker data
C = ng.convert.converter()
C.from_bruker(dic, data, udic)

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2 changes: 1 addition & 1 deletion examples/convert/bruker2pipe_2d/bruker2pipe_2d.py
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Expand Up @@ -17,7 +17,7 @@
u[1]['car'] = 4.773 * 800.134 ; u[0]['car'] = 58.742 * 201.204
u[1]['label'] = '1H' ; u[0]['label'] = '13C'

# create the converter object and initilize with Bruker data
# create the converter object and initialize with Bruker data
C = ng.convert.converter()
C.from_bruker(dic, data, u)

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2 changes: 1 addition & 1 deletion examples/convert/bruker2pipe_3d/bruker2pipe_3d.py
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Expand Up @@ -37,7 +37,7 @@
udic[0]['label'] = '13C'


# create the converter object and initilize with Bruker data
# create the converter object and initialize with Bruker data
C = ng.convert.converter()
C.from_bruker(dic, data, udic)

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2 changes: 1 addition & 1 deletion examples/convert/pipe2sparky_2d/pipe2sparky_2d.py
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Expand Up @@ -8,7 +8,7 @@
# Set the spectral parameters
udic = ng.pipe.guess_udic(dic, data)

# create the converter object and initilize with NMRPipe data
# create the converter object and initialize with NMRPipe data
C = ng.convert.converter()
C.from_pipe(dic, data, udic)

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2 changes: 1 addition & 1 deletion examples/convert/pipe2sparky_3d/pipe2sparky_3d.py
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Expand Up @@ -9,7 +9,7 @@
# Set the spectral parameters
udic = ng.pipe.guess_udic(dic, data)

# create the converter object and initilize with NMRPipe data
# create the converter object and initialize with NMRPipe data
C = ng.convert.converter()
C.from_pipe(dic, data, udic)

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2 changes: 1 addition & 1 deletion examples/fitting_data/t1_measurements/extract_trajs.py
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@@ -1,5 +1,5 @@
#! /usr/bin/env python
# Scipt to extract trajectories from a series a 2D spectrum.
# Script to extract trajectories from a series a 2D spectrum.

import nmrglue as ng
import numpy as np
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2 changes: 1 addition & 1 deletion examples/fitting_data/t1_measurements/xy_s3e.com
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Expand Up @@ -5,7 +5,7 @@
# By: Jonathan Helmus ([email protected])

# data must be converted to nmrpipe data with twice the number of points
# in the indirect dimention using var2pipe and the A/B S3E block the intermost
# in the indirect dimension using var2pipe and the A/B S3E block the intermost
# array

# var2pipe sign alternates the Y vectors for States so we have:
Expand Down
4 changes: 2 additions & 2 deletions examples/integration/integrate_1d/integrate_1d.py
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@@ -1,5 +1,5 @@
#! /usr/bin/env python
# Example scipt to show integration of a 1D spectrum
# Example script to show integration of a 1D spectrum

import nmrglue as ng
import numpy as np
Expand All @@ -12,7 +12,7 @@
# read in the integration limits
peak_list = np.recfromtxt("limits.in")

# determind the ppm scale
# determine the ppm scale
uc = ng.pipe.make_uc(dic, data)
ppm_scale = uc.ppm_scale()

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4 changes: 2 additions & 2 deletions examples/jbnmr_examples/make_jbnmr_zip_files.com
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Expand Up @@ -32,7 +32,7 @@ s4_2d_plotting/test.ft2
mv jbnmr_s4_2d_plotting.zip ./zip_files/.


# Listing S5 seperate interleaved
# Listing S5 separate interleaved
zip jbnmr_s5_seperate_interleaved.zip \
s5_seperate_interleaved/seperate.py \
s5_seperate_interleaved/README.rst \
Expand All @@ -44,7 +44,7 @@ s5_seperate_interleaved/arrayed_data.fid/fid

mv jbnmr_s5_seperate_interleaved.zip ./zip_files/.

# Listing S6 seperate inner_phase
# Listing S6 separate inner_phase
zip jbnmr_s6_seperate_inner_phase.zip \
s6_seperate_inner_phase/seperate.py \
s6_seperate_inner_phase/README.rst \
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2 changes: 1 addition & 1 deletion examples/jbnmr_examples/s11_strip_plots/README.rst
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Expand Up @@ -11,7 +11,7 @@ this example a three 3D solid state NMR spectra are visualized as strip plots.
Instructions
------------

Process each of the three 3D spectra by decending into the appopiate directory
Process each of the three 3D spectra by descending into the appopiate directory
and executing the `fid.com` followed by the `xy.com` NMRPipe scripts.


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Expand Up @@ -6,7 +6,7 @@ Introduction

This example is taken from Listing S12 - S15 in the 2013 JBNMR nmrglue paper.
In this example a series of 3D NMRPipe files containing relaxation trajectories
for a solid state NMR experment and analyzed.
for a solid state NMR experiment and analyzed.



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Expand Up @@ -28,7 +28,7 @@ def residuals(p, y, x):
peak = filename[:3]
print "Fitting Peak:", peak

# fit the trajectory using contrainted least squares optimization
# fit the trajectory using constrained least squares optimization
trajectory = np.loadtxt(filename)
x, ier = leastsqbound(residuals, x0, bounds=bounds,
args=(trajectory, relaxation_times))
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6 changes: 3 additions & 3 deletions examples/jbnmr_examples/s5_seperate_interleaved/README.rst
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Seperated interleaved example
Separated interleaved example
=============================

Introduction
------------

This example is taken from Listing S5 in the 2013 JBNMR nmrglue paper. In
this example a pseudo-3D NMRPipe data set is seperated into 2D data sets using
this example a pseudo-3D NMRPipe data set is separated into 2D data sets using
the script `seperate.py`.


Instructions
------------

Execute `python seperate.py` to seperate the pseudo-3D data set into 2D data
Execute `python seperate.py` to separate the pseudo-3D data set into 2D data
sets. Six directories with names `techo_XXXX.fid` will be created.
6 changes: 3 additions & 3 deletions examples/jbnmr_examples/s6_seperate_inner_phase/README.rst
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Seperated inner phase example
Separated inner phase example
=============================

Introduction
------------

This example is taken from Listing S6 in the 2013 JBNMR nmrglue paper. In
this example a pseudo-3D NMRPipe data set is seperated into 2D data sets using
this example a pseudo-3D NMRPipe data set is separated into 2D data sets using
the script `seperate.py` where there is an innermost quadrature phase loop.


Instructions
------------

Execute `python seperate.py` to seperate the pseudo-3D data set into 2D data
Execute `python seperate.py` to separate the pseudo-3D data set into 2D data
sets. Ten directories with names `nredor_XX.fid` will be created.
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