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cf7e9c0
GUI fresh start after 270 commits to allow rebasing
pfebrer May 16, 2020
f8d69f9
enh: 2d geometry plot now also allows bond colors
pfebrer May 17, 2020
3d0762b
enh: registered some more handy plotables
pfebrer May 17, 2020
a3c589c
maint: more robust handling of the orbitals queries
pfebrer May 17, 2020
d822e8e
bug: energy points in PDOS was hardcoded
pfebrer May 17, 2020
63f3f2c
bug: socket connections were not set up properly
pfebrer May 18, 2020
d53dde3
before autodoc
pfebrer May 18, 2020
c82c58a
before autodoc
pfebrer May 19, 2020
b853429
before autodoc
pfebrer May 19, 2020
480418a
maint: All plots documented
pfebrer May 19, 2020
fa1c433
maint: added auto documentation script to package
pfebrer May 19, 2020
672b372
maint: added tests for geometry and bondlength
pfebrer May 19, 2020
40a5320
maint: removed some leftover prints in GridPlot
pfebrer May 20, 2020
6f4f401
maint: wavefunctions have their own plot now
pfebrer May 20, 2020
cedad64
enh: animations available for plotables through the animate keyword
pfebrer May 20, 2020
477b8a0
enh: much easier to build subplots, animations or multiple plots from…
pfebrer May 20, 2020
ca5b0d0
maint: added editable and drawable flags to splot
pfebrer May 22, 2020
e6f0854
bug: WavefunctionPlot didn't allow k other than gamma
pfebrer May 25, 2020
d5b7bbb
bug: forgot to add some gui requirements to setup.py
pfebrer May 27, 2020
5df335b
maint: more manageable fatbands with a build_groups method
pfebrer Jun 3, 2020
23e264f
enh: incorporated sisl express waiting for df implementations
pfebrer Jun 3, 2020
a6d0e72
enh: fatbands plot now also from *.bands and *.wfsx files
pfebrer Jun 4, 2020
7bdd3d4
enh: splot searches current dir if only plot type is specified
pfebrer Jun 4, 2020
897a87f
bug: fixed some bugs in splot
pfebrer Jun 4, 2020
e61ed7b
bug: fatbands use the hamiltonian now to read from WFSX
pfebrer Jun 4, 2020
436c246
maint: not reading directly from HSX anymore
pfebrer Jun 4, 2020
f915254
maint: applied some feedback and avoided deprecation warnings
pfebrer Jun 9, 2020
1a4c842
maint: removed two useless files
pfebrer Jun 9, 2020
5bc47d3
maint: moved everything to a plotly folder
pfebrer Jun 9, 2020
f393718
maint: using environment variables
pfebrer Jun 9, 2020
ecfea5b
maint: incorporated all feedback except plotables
pfebrer Jun 9, 2020
311e219
enh: first implementation of the PlotHandler
pfebrer Jun 10, 2020
a010be6
enh: first implementation of entry points for more flexibility in the…
pfebrer Jun 11, 2020
53e721d
bug: fixed bug in BandsPlot
pfebrer Jun 11, 2020
99de421
bug: forgot to import reduce in setup.py
pfebrer Jun 16, 2020
6466726
maint: almost there with sisl.viz documentation
pfebrer Jun 16, 2020
93e1d99
bug: fixed bug in GeometryPlot
pfebrer Jun 18, 2020
2662361
maint: cleaned plotutils file
pfebrer Jun 24, 2020
f3bffff
maint: using only pathlib in viz module (not os.path)
pfebrer Jun 24, 2020
aaf3ebb
maint: ran pep8.sh in viz module
pfebrer Jun 24, 2020
e6ce1c8
maint: added __all__ to viz modules
pfebrer Jun 24, 2020
5794000
enh: bands and fatbands from H support spin now
pfebrer Jun 25, 2020
f64193b
bug: Animation was not setting frame names properly
pfebrer Jun 26, 2020
02b7d78
bug: no need to parse frame names in animated
pfebrer Jun 26, 2020
eea0f9f
bug: fixed some bugs in spin polarized fatbands
pfebrer Jun 30, 2020
a1539ec
enh: first sketch of spin textured bands support to choose spin
pfebrer Jul 2, 2020
426471d
enh: accepting also nc and soc hamiltonians in fatbands
pfebrer Jul 2, 2020
752ffcc
bug: fixed some bugs in the gui
pfebrer Jul 2, 2020
94b32d6
maint: removed padding and allowed for choosing colorscale in spin te…
pfebrer Jul 2, 2020
10ff682
enh: allow for arbitrary transforms in GridPlot
pfebrer Jul 2, 2020
ad175af
bug: file_storage_dir was not a path input
pfebrer Jul 5, 2020
bd8254a
maint: header of splot was mistaken
pfebrer Jul 6, 2020
1f05584
maint: fixed docs in _doc_updater
pfebrer Jul 6, 2020
9e09ea7
enh: much better handling of files considering a root fdf
pfebrer Jul 7, 2020
8613410
maint: updated docs in the viz/plotly module
pfebrer Jul 7, 2020
8fa550c
maint: added tests for NC (fat)bands and grid transforms
pfebrer Jul 7, 2020
5f9baeb
enh: (GUI) flexibility in choosing plot type from plotables
pfebrer Jul 7, 2020
cbc31b9
bug: GridPlot was cutting vacuum before applying the ranges
pfebrer Jul 9, 2020
2c68aec
maint: set default cut_vacuum to False (GridPlot)
pfebrer Jul 9, 2020
fb8bcf1
bug: OrbitalQueries didn't accept numpy arrays
pfebrer Jul 9, 2020
0e8f8b7
maint: sanitizing atoms in OrbitalsQuery
pfebrer Jul 13, 2020
deb4957
maint: easy way to change child plots settings in multiple plots
pfebrer Jul 15, 2020
a6a3bc7
maint: just changed a comment near MultiplePlot
pfebrer Aug 2, 2020
00f4fdb
maint: GUI build now on github
pfebrer Aug 3, 2020
0e632e3
maint: flask apps not created on import, only when needed
pfebrer Aug 3, 2020
d7d16e8
maint: GUI build directory gets installed now
pfebrer Aug 3, 2020
d544c55
maint: using new environment setup in sisl.viz
pfebrer Aug 4, 2020
6e21594
maint: not swallowing import error on sisl.viz load
pfebrer Aug 4, 2020
716ba84
maint: removed old way of handling env vars
pfebrer Aug 4, 2020
7934849
maint: removed faulty symbolic link
pfebrer Aug 4, 2020
6d8e023
enh: support for custom gaps in BandsPlot
pfebrer Aug 4, 2020
e90912b
maint: build dir was sneaking in
pfebrer Aug 4, 2020
e0d3c89
bug: now saved plots/sessions can be shared across all supported pyth…
pfebrer Aug 6, 2020
e3df56f
maint: starting to use fixtures to test plot subclasses
pfebrer Aug 6, 2020
52586a3
maint: refactoring of tests to make them more scalable
pfebrer Aug 6, 2020
6e309a8
maint: removed empty lines after all docstrings in the viz module
pfebrer Aug 7, 2020
a5a5ae9
maint: public method to easily draw a gap in BandsPlot
pfebrer Aug 7, 2020
69663e9
enh: PDOS requests can be splitted in-place (easier for the GUI)
pfebrer Aug 7, 2020
931735b
enh: composite splitting of orbitals made easy (very nice for PDOS an…
pfebrer Aug 7, 2020
80b4166
bug: was not considering constrains when splitting requests
pfebrer Aug 7, 2020
aceb6f6
bug: fixed bug in PDOSPlot
pfebrer Aug 7, 2020
c0e0121
maint: geometry plot showing atoms 0-indexed for consistency
pfebrer Aug 12, 2020
798f8a4
maint: Using the new AtomGhost in GeometryPlot
pfebrer Aug 19, 2020
994fe8a
enh: created entry point for aiida's BandsData in BandsPlot
pfebrer Aug 27, 2020
1fe773a
enh: user can now easily set the colors and sizes of atoms as they wi…
pfebrer Aug 28, 2020
0cea20f
maint: added some tests for atom size and atom color in GeometryPlot
pfebrer Aug 28, 2020
afd8920
maint: cleaned up a bit using PlotMeta instead of Plot.__new__
pfebrer Aug 28, 2020
0834ee5
doc: added docs to GeometryPlot.find_all_bonds
pfebrer Aug 31, 2020
f406c81
maint: registered all plots to fdfSile
pfebrer Aug 31, 2020
74e0edd
enh: support spin in WavefunctionPlot and hamiltonian calculated Pdos…
pfebrer Sep 3, 2020
b35f2bf
docs: first sketch of visualization notebooks in sisl docs
pfebrer Sep 9, 2020
6bc2a38
docs: finished GeometryPlot showcase notebook
pfebrer Sep 9, 2020
7d8b680
docs: GridPlot and PdosPlot showcase notebooks finished
pfebrer Sep 10, 2020
628d938
maint: it wasn't necessary to use a flask app to display the GUI in t…
pfebrer Sep 11, 2020
5503c84
maint: making sure that the python with GUI notebook works
pfebrer Sep 11, 2020
6046c88
bug: left a print statement in socketio emiter
pfebrer Sep 11, 2020
797bd23
maint: deleted ipynb-checkpoints
pfebrer Sep 11, 2020
01d284a
maint: added Nick suggestions to the viz module
pfebrer Sep 16, 2020
8e3ed9d
enh: Changed radically the way settings are retreived and updates are…
pfebrer Sep 17, 2020
db1c1c2
bug: pdosSile.plot() returned GeometryPlot with new addition of pdosS…
pfebrer Sep 17, 2020
adaa23f
enh: 3D gridplot now supports plotting non-orthogonal grids.
pfebrer Sep 17, 2020
f1846d8
enh: same setting that draws isosurfaces draws contours in 2d GridPlot
pfebrer Sep 18, 2020
2f39b0d
docs: included isosurfaces/contours in GridPlot notebook
pfebrer Sep 18, 2020
dca68bb
bug: bug in skimage package name
pfebrer Sep 18, 2020
a73237a
docs: added the BandsPlot showcase notebook
pfebrer Sep 22, 2020
c1a442a
bug: fixed syntax bug in BandsPlot
pfebrer Sep 23, 2020
6c2747e
doc: added intro to multiple plots notebook
pfebrer Sep 23, 2020
8d90d5c
maint: automatic global axes titles in subplots when they are all the…
pfebrer Sep 24, 2020
85cd240
bug:forgot to import defaultdict
pfebrer Sep 25, 2020
5ed3dd4
maint: removed BaseGeometryPlot, now all in GeometryPlot
pfebrer Sep 25, 2020
16bf22a
maint: entry points help and better handling of multiple plot init
pfebrer Sep 26, 2020
5f56d9a
bug: fixed color bug in GeometryPlot
pfebrer Sep 29, 2020
a12c984
bug: atom labels and colors were not correct in 2D GeometryPlot subsets
pfebrer Sep 30, 2020
2ee3322
enh: finally, there is full support for non-orthogonal grids in GridPlot
pfebrer Oct 2, 2020
44266d6
bug: no atoms setting in 1D GeometryPlot
pfebrer Oct 5, 2020
0a49201
docs: renewed the do it yourself section.
pfebrer Oct 6, 2020
a49e026
bug: atoms_color/size didn't work with sc in GeometryPlot
pfebrer Oct 6, 2020
6ccbe79
bug: update information was not transmitted through plots
pfebrer Oct 6, 2020
02cadd6
docs: added WavefunctionPlot showcase notebook
pfebrer Oct 6, 2020
5ff49b2
docs: cleared output from WavefunctionPlot notebook
pfebrer Oct 6, 2020
e9d5692
bug: BondLengthMap did not accept sc
pfebrer Oct 8, 2020
574b010
bug: FatbandsPlot didn't check if self.H existed
pfebrer Oct 13, 2020
8e5af0a
maint: removed commented settings from BondLengthMap
pfebrer Oct 13, 2020
6746c84
maint: substituted show_jupnb by ipython display
pfebrer Oct 13, 2020
88a82b7
bug: ipyevents can be present in jupyter but not the kernel
pfebrer Oct 13, 2020
5457551
maint: PlotHandler can use __getattr__ because autocompletion is achi…
pfebrer Oct 13, 2020
3b84488
enh: the gui's build is no longer in sisl's repo
pfebrer Oct 14, 2020
895291d
enh: allow lazy loading of the viz module
pfebrer Oct 14, 2020
7f39b71
bug; small typo
pfebrer Oct 14, 2020
5a83520
bug: aiida_bands was not working
pfebrer Nov 5, 2020
ea28432
maint: added an input for aiida nodes
pfebrer Nov 5, 2020
f9145a4
maint: colouring Au with gold in GeometryPlot
pfebrer Nov 5, 2020
9011719
maint: removed Animation.zip_with
pfebrer Nov 11, 2020
fe955b5
enh: entry point for TBT.nc files in PdosPlot
pfebrer Nov 12, 2020
273e97b
maint: removed the v_line method from Plot
pfebrer Nov 12, 2020
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1 change: 1 addition & 0 deletions MANIFEST.in
Original file line number Diff line number Diff line change
Expand Up @@ -11,6 +11,7 @@ graft sisl

include sisl/info.py

recursive-include sisl/viz/plotly/gui/build
recursive-include toolbox *.py *.md README

exclude DEPLOY.md
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7 changes: 6 additions & 1 deletion docs/conf.py
Original file line number Diff line number Diff line change
Expand Up @@ -151,6 +151,7 @@ def __getattr__(cls, name):
extensions += [
'sphinx.ext.inheritance_diagram',
'nbsphinx',
'sphinx_gallery.load_style',
'IPython.sphinxext.ipython_directive',
'IPython.sphinxext.ipython_console_highlighting',
]
Expand Down Expand Up @@ -435,7 +436,7 @@ def __getattr__(cls, name):

# Insert a link to download the IPython notebook
nbsphinx_prolog = r"""
{% set docname = env.doc2path(env.docname, base='docs') %}
{% set docname = env.doc2path(env.docname, base="docs") %}

.. raw:: html

Expand All @@ -446,6 +447,10 @@ def __getattr__(cls, name):

"""

nbsphinx_thumbnails = {
"visualization/plotly/basic-tutorials/GUI with Python Demo": "_static/visualization/plotly/basic-tutorials/GUIScreenshot.png"
}

import inspect


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8 changes: 7 additions & 1 deletion docs/index.rst
Original file line number Diff line number Diff line change
Expand Up @@ -134,7 +134,6 @@ which fills in the version number.
installation
tutorials.rst
scripts/scripts
visualization/visualization
rst/files

.. toctree::
Expand All @@ -143,6 +142,13 @@ which fills in the version number.

toolbox/toolbox

.. toctree::
:maxdepth: 4
:caption: Visualization
:glob:

visualization/*/index

.. toctree::
:maxdepth: 3
:caption: Reference documentation
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13 changes: 13 additions & 0 deletions docs/visualization/ase/index.rst
Original file line number Diff line number Diff line change
@@ -0,0 +1,13 @@
ASE
---

A sisl `Geometry` object may easily be converted to ASE objects and thus directly
plotted.

import sisl
import ase.visualize.view as view

geom = sisl.geom.graphene()
view(geom.toASE())

will open a new window showing the atoms.
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