ipyvasp 0.9.96__py2.py3-none-any.whl → 0.9.98__py2.py3-none-any.whl

ipyvasp/_version.py

@@ -1 +1 @@
-__version__ = "0.9.96"
+__version__ = "0.9.98"

ipyvasp/utils.py

@@ -137,6 +137,19 @@ def _sig_kwargs(from_func, skip_params=()):
 
     return wrapper
 
+def _md_code_blocks_to_rst(text):
+    def repl(match):
+        language = match.group(1) or 'python'  # default to 'python' if no language
+        code = match.group(2)
+        return f'.. code-block:: {language}\n\n   ' + '\n   '.join(code.strip().splitlines())
+
+    return re.sub(
+        r'```([a-zA-Z0-9]*)\s*\n(.*?)```',
+        repl,
+        text,
+        flags=re.DOTALL
+    )
+
 
 def _sub_doc(from_func, replace={}):
     """Assing __doc__ from other function. Replace words in docs where need."""
@@ -148,7 +161,7 @@ def _sub_doc(from_func, replace={}):
 
         for k, v in replace.items():
             docs = re.sub(k, v, docs, count=1, flags=re.DOTALL)
-        func.__doc__ = docs
+        func.__doc__ = _md_code_blocks_to_rst(docs)
         return func
 
     return wrapper

ipyvasp/widgets.py

@@ -87,13 +87,6 @@ def summarize(files, func, **kwargs):
     )
 
 
-_progress_svg = """<svg xmlns="http://www.w3.org/2000/svg" height="5em" viewBox="0 0 50 50">
-    <path fill="skyblue" d="M25,5A20.14,20.14,0,0,1,45,22.88a2.51,2.51,0,0,0,2.49,2.26h0A2.52,2.52,0,0,0,50,22.33a25.14,25.14,0,0,0-50,0,2.52,2.52,0,0,0,2.5,2.81h0A2.51,2.51,0,0,0,5,22.88,20.14,20.14,0,0,1,25,5Z">
-        <animateTransform attributeName="transform" type="rotate" from="0 25 25" to="360 25 25" dur="0.2s" repeatCount="indefinite"/>
-    </path>
-</svg>"""
-
-
 def fix_signature(cls):
     # VBox ruins signature of subclass, let's fix it
     cls.__signature__ = inspect.signature(cls.__init__)
@@ -598,7 +591,7 @@ class _ThemedFigureInteract(ei.InteractBase):
         self.observe(self._autosize_figs, names = 'isfullscreen') # fix figurewidget problem
 
     def _autosize_figs(self, change):
-        for w in self._all_widgets.values():
+        for w in self.params:
             # don't know yet about these without importing
             if re.search('plotly.*FigureWidget', str(type(w).__mro__)):
                 w.layout.autosize = False # Double trigger is important
@@ -798,7 +791,7 @@ class BandsWidget(_ThemedFigureInteract):
     
     @ei.callback
     def _toggle_footer(self, showft):
-        self._app.pane_heights = [0,100 - showft, showft]
+        self.pane_heights = [0,100 - showft, showft]
     
     @ei.callback
     def _set_krange(self, krange):

{ipyvasp-0.9.96.dist-info → ipyvasp-0.9.98.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: ipyvasp
-Version: 0.9.96
+Version: 0.9.98
 Summary: A processing tool for VASP DFT input/output processing in Jupyter Notebook.
 Home-page: https://github.com/massgh/ipyvasp
 Author: Abdul Saboor
@@ -24,6 +24,7 @@ Requires-Dist: plotly ==6.0.1
 Requires-Dist: requests ==2.28.1
 Requires-Dist: typer ==0.9.0
 Requires-Dist: einteract
+Requires-Dist: sympy
 Provides-Extra: extra
 Requires-Dist: jupyterlab >=3.5.2 ; extra == 'extra'
 Requires-Dist: ipython >=8.7 ; extra == 'extra'
@@ -34,6 +35,7 @@ Requires-Dist: nglview >=3.0.4 ; extra == 'extra'
 # IPyVASP
 
 [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.15482350.svg)](https://doi.org/10.5281/zenodo.15482350)
+[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/asaboor-gh/ipyvasp/HEAD?urlpath=%2Fdoc%2Ftree%2Fdocs%2Fsource%2Fnotebooks%2Fquickstart.ipynb)
 [![PyPI Downloads](https://static.pepy.tech/badge/ipyvasp)](https://pepy.tech/projects/ipyvasp)
 
 An VASP-based DFT pre and post processing tool.
@@ -81,4 +83,4 @@ Apply operations on POSCAR and simultaneously view using plotly's `FigureWidget`
 ![snip](op.png)
 
 ![BandsWidget](Bands.jpg)
-More coming soon!
+More coming soon! You can test these examples on [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/asaboor-gh/ipyvasp/HEAD?urlpath=%2Fdoc%2Ftree%2Fdocs%2Fsource%2Fnotebooks%2Fquickstart.ipynb).

{ipyvasp-0.9.96.dist-info → ipyvasp-0.9.98.dist-info}/RECORD

@@ -2,7 +2,7 @@ ipyvasp/__init__.py,sha256=pzTqeKuf6sN2GQmaexmMgG677ggT3sxIFyQDXq_2whU,1422
 ipyvasp/__main__.py,sha256=eJV1TZSiT8mC_VqAeksNnBI2I8mKMiPkEIlwikbtOjI,216
 ipyvasp/_enplots.py,sha256=gJ7S9WBmrxvDEbmoccDRaJG01kpx9oNlRf7mozigbgY,37872
 ipyvasp/_lattice.py,sha256=6KOenMyIy675EUXlVSxt9RUyv4EcExk1tm0_mANSFLQ,105935
-ipyvasp/_version.py,sha256=LkfgD4k2g1qhFGmhFzf-cIDtAVsrYMYNg3_j7MN8nKU,24
+ipyvasp/_version.py,sha256=FjYbN-6U13gyEJ29NpgnAZy9QDr5AKAfSQA2LODCGXs,24
 ipyvasp/bsdos.py,sha256=omEiQrdbyZDI0Vd39bktzEyw2Il_w9rFsmYR_jEF-Xk,32180
 ipyvasp/cli.py,sha256=aWFEVhNmnW8eSOp5uh95JaDwLQ9K9nlCQcbnOSuhWgw,6844
 ipyvasp/evals_dataframe.py,sha256=KWbkvQJSyXeTSG6LJGcZKs0s5-tor5uPee2P8FJd7vs,20759
@@ -10,16 +10,16 @@ ipyvasp/lattice.py,sha256=NAe4cmXwkd6V0pRDTw1g5_CoNMfqOIT-NpyOSlSfyv0,33710
 ipyvasp/misc.py,sha256=ItSsG_aWiQZNRXM2F23atmNVdedyXFYtoShflYRvzOU,2645
 ipyvasp/potential.py,sha256=tzA73c5lkp6ahLSJchMrU043-QWaOV0nIOUA7VMmfKQ,11408
 ipyvasp/surface.py,sha256=MjE5oB0wW6Pca_C-xu8rN6OMH7lUEeNPNyM7Kz_Im-8,23766
-ipyvasp/utils.py,sha256=joImNDyjpe4T3lrw738X3I3qA1-RysyYotJwlN9_z0w,17510
-ipyvasp/widgets.py,sha256=pT7MchxDryslCiFAAibZrSqRZ9gT59-iuub7ed2AdEA,53651
+ipyvasp/utils.py,sha256=1TTULmj2L87tK-sMJdbkO_bHOziyUABLNONWCaGa-J8,17932
+ipyvasp/widgets.py,sha256=aJqWD7XkGB7RMYKIJpa8drGd4K1iGEojb-Xdh0dKjVo,53159
 ipyvasp/core/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 ipyvasp/core/parser.py,sha256=0EySeY5tIqJr-aBK_tJn4GfybV_-3OTBchXBj_cv7-k,39811
 ipyvasp/core/plot_toolkit.py,sha256=XUB8VYBjv81WowafgLEyHELmzQn-PT36KwLJZKXIx_c,36304
 ipyvasp/core/serializer.py,sha256=v0ma4htirybtQo_wFhIEjkRoZMQk9ETDz85iloaq3YY,38427
 ipyvasp/core/spatial_toolkit.py,sha256=dXowREhiFzBvvr5f_bApzFhf8IzjH2E2Ix90oCBUetY,14885
-ipyvasp-0.9.96.dist-info/LICENSE,sha256=F3SO5RiAZOMfmMGf1KOuk2g_c4ObvuBJhd9iBLDgXoQ,1263
-ipyvasp-0.9.96.dist-info/METADATA,sha256=ro5a_ivKIKljgYXNYfqF85_ZDXoeT7xELH2EZVHXJpE,2820
-ipyvasp-0.9.96.dist-info/WHEEL,sha256=iYlv5fX357PQyRT2o6tw1bN-YcKFFHKqB_LwHO5wP-g,110
-ipyvasp-0.9.96.dist-info/entry_points.txt,sha256=C7m0Sjmr14wFjflCkWXLzr5N6-cQj8uJC9n82mUtzt8,44
-ipyvasp-0.9.96.dist-info/top_level.txt,sha256=ftziWlMWu_1VpDP1sRTFrkfBnWxAi393HYDVu4wRhUk,8
-ipyvasp-0.9.96.dist-info/RECORD,,
+ipyvasp-0.9.98.dist-info/LICENSE,sha256=F3SO5RiAZOMfmMGf1KOuk2g_c4ObvuBJhd9iBLDgXoQ,1263
+ipyvasp-0.9.98.dist-info/METADATA,sha256=nkZPBbco43_ge2JORmJBd99XPt_ZWf_wm6yfF6qZHKo,3215
+ipyvasp-0.9.98.dist-info/WHEEL,sha256=iYlv5fX357PQyRT2o6tw1bN-YcKFFHKqB_LwHO5wP-g,110
+ipyvasp-0.9.98.dist-info/entry_points.txt,sha256=C7m0Sjmr14wFjflCkWXLzr5N6-cQj8uJC9n82mUtzt8,44
+ipyvasp-0.9.98.dist-info/top_level.txt,sha256=ftziWlMWu_1VpDP1sRTFrkfBnWxAi393HYDVu4wRhUk,8
+ipyvasp-0.9.98.dist-info/RECORD,,