From 9fe15d1ca35d507ed8d499e0048375fb1550247f Mon Sep 17 00:00:00 2001 From: Luthaf Date: Tue, 5 Jul 2022 16:04:58 +0200 Subject: [PATCH] Release version 0.4.1 --- package.json | 2 +- python/chemiscope/__init__.py | 3 ++- python/chemiscope/input.py | 10 +++------- python/chemiscope/jupyter.py | 5 +++-- python/chemiscope/structures.py | 4 ++-- 5 files changed, 11 insertions(+), 13 deletions(-) diff --git a/package.json b/package.json index 7d582f33e..03201c51f 100644 --- a/package.json +++ b/package.json @@ -1,6 +1,6 @@ { "name": "chemiscope", - "version": "0.4.0", + "version": "0.4.1", "description": "An interactive structure/property explorer for materials and molecules", "author": "Guillaume Fraux ", "license": "BSD-3-Clause", diff --git a/python/chemiscope/__init__.py b/python/chemiscope/__init__.py index 9f5d66843..8f2123f06 100644 --- a/python/chemiscope/__init__.py +++ b/python/chemiscope/__init__.py @@ -5,8 +5,9 @@ try: # only import the chemiscope.show function if we have ipywidgets installed. import ipywidgets # noqa + from .jupyter import show # noqa except ImportError: pass -__version__ = "0.4.0" +__version__ = "0.4.1" diff --git a/python/chemiscope/input.py b/python/chemiscope/input.py index 8eb200e9d..515e8cb6a 100755 --- a/python/chemiscope/input.py +++ b/python/chemiscope/input.py @@ -2,18 +2,14 @@ """ Generate JSON input files for the default chemiscope visualizer. """ -import warnings -import json import gzip +import json import os +import warnings import numpy as np -from .structures import ( - frames_to_json, - atom_properties, - structure_properties, -) +from .structures import atom_properties, frames_to_json, structure_properties def _expand_properties(short_properties, n_structures, n_atoms): diff --git a/python/chemiscope/jupyter.py b/python/chemiscope/jupyter.py index 2187a3ff8..8ade4da90 100644 --- a/python/chemiscope/jupyter.py +++ b/python/chemiscope/jupyter.py @@ -1,8 +1,9 @@ # -*- coding: utf-8 -*- -import json import gzip +import json + import ipywidgets -from traitlets import Unicode, Bool, Dict +from traitlets import Bool, Dict, Unicode from .input import create_input diff --git a/python/chemiscope/structures.py b/python/chemiscope/structures.py index 8078c19dd..43b9be98e 100644 --- a/python/chemiscope/structures.py +++ b/python/chemiscope/structures.py @@ -1,9 +1,9 @@ # -*- coding: utf-8 -*- -import numpy as np import warnings - from collections import Counter +import numpy as np + try: import ase