test pypi action

.github/workflows/actions.yml

@@ -48,6 +48,16 @@ jobs:
             pip install coverage
             bash <(curl -s https://codecov.io/bash)
 
+      - name: Build Python package and Upload to TestPyPi
+        shell: bash -l {0}
+        env:
+          TEST_PYPI_TOKEN_PASSWORD: ${{ secrets.TEST_PYPI_TOKEN }}
+        run: |
+          poetry build
+          poetry config repositories.testpypi https://test.pypi.org/legacy/
+          poetry publish -r testpypi --username "__token__" --password $TEST_PYPI_TOKEN_PASSWORD
+
+
       - name: Build Python package and Upload to PyPi
         shell: bash -l {0}
         if: startsWith( github.ref, 'refs/tags/v') && matrix.python-version == env.PYTHON_MAIN_VERSION

example.py

@@ -8,8 +8,8 @@
 
 # context parameters
 example.context(
-            ['https://stuchalk.github.io/scidata/contexts/scidata.jsonld']
-        )
+    ['https://stuchalk.github.io/scidata/contexts/scidata.jsonld']
+)
 example.context(
     'https://stuchalk.github.io/scidata/contexts/scidata2.jsonld', True)
 base = 'https://scidata.unf.edu/' + uid + '/'
@@ -127,13 +127,13 @@
     '@id': 'constituent',
     'source': 'compound/1/',
     'role': 'chm:analyte',
-    'properties': [prp1,prp2]
+    'properties': [prp1, prp2]
 }
 con2 = {
     '@id': 'constituent',
     'source': 'compound/2/',
     'role': 'chm:reagent',
-    'properties': [prp1,prp2]}
+    'properties': [prp1, prp2]}
 con3 = {
     '@id': 'constituent',
     'source': 'compound/3/',
@@ -284,7 +284,7 @@
 for k, v in ser1_dict.items():
     dataser1.update({str(k): str(v)})
 for k, v in ser1_dict_str.items():
-    dataser1.update({str('str_'+k): v})
+    dataser1.update({str('str_' + k): v})
 
 ser2_input = {'colA': [10, 20, 30]}
 ser2_dataframe = pd.DataFrame(ser2_input)
@@ -310,7 +310,7 @@
 for k, v in ser2_dict.items():
     dataser2.update({str(k): str(v)})
 for k, v in ser2_dict_str.items():
-    dataser2.update({str('str_'+k): v})
+    dataser2.update({str('str_' + k): v})
 
 example.dataseries([dataser1, dataser2])
 

example2.py

@@ -2,18 +2,14 @@
 from scidatalib.scidata import SciData
 import json
 import pandas as pd
-import re
-
-
-p_name = '/Users/n01448636/Documents/GoogleDrive/PycharmProjects/SciDataLib/test.rruff'
 
 uid = 'example'
 example = SciData(uid)
 
 # context parameters
 example.context(
-            ['https://stuchalk.github.io/scidata/contexts/scidata.jsonld']
-        )
+    ['https://stuchalk.github.io/scidata/contexts/scidata.jsonld']
+)
 example.context(
     'https://stuchalk.github.io/scidata/contexts/scidata2.jsonld', True)
 base = 'https://scidata.unf.edu/' + uid + '/'
@@ -261,17 +257,27 @@
 dps = [dp1, dp2]
 example.datapoint(dps)
 
-# with open(p_name) as openfile:
-#     openfileread = openfile.readlines()
-#     spectrax = []
-#     spectray = []
-#     for x in openfileread:
-#         if re.search('(\d{1,}\.\d{1,}), (\d{1,}\.\d{1,})',x):
-#             spectrax.append(re.match('(\d{1,}\.\d{1,}), (\d{1,}\.\d{1,})',x).group(1))
-#             spectray.append(re.match('(\d{1,}\.\d{1,}), (\d{1,}\.\d{1,})',x).group(2))
 
-spectrax = ['107.9252', '108.4073', '108.8894', '109.3715', '109.8536', '110.3358', '110.8179', '111.3000', '111.7821']
-spectray = ['831.4121', '833.1594', '839.9602', '848.9200', '855.5815', '860.6728', '862.4740', '859.3690', '851.6688']
+spectrax = [
+    '107.9252',
+    '108.4073',
+    '108.8894',
+    '109.3715',
+    '109.8536',
+    '110.3358',
+    '110.8179',
+    '111.3000',
+    '111.7821']
+spectray = [
+    '831.4121',
+    '833.1594',
+    '839.9602',
+    '848.9200',
+    '855.5815',
+    '860.6728',
+    '862.4740',
+    '859.3690',
+    '851.6688']
 ser1_input = {'spectra_x': spectrax, 'spectra_y': spectray}
 ser1_dataframe = pd.DataFrame(ser1_input)
 ser1_dataframe_str = pd.DataFrame(ser1_input).applymap(str)
@@ -288,7 +294,9 @@
 
 example.dataseries([dataser1])
 
-example.datagroup([{"@id": "datagroup", "@type": "sdo:datagroup", "datapoints": ["datapoint"]}])
+example.datagroup(
+    [{"@id": "datagroup", "@type": "sdo:datagroup",
+      "datapoints": ["datapoint"]}])
 
 # add source
 src = {'citation': 'Chalk Research Group',

pyproject.toml

@@ -1,10 +1,21 @@
 [tool.poetry]
 name = "SciDataLib"
-version = "0.0.1"
+version = "0.2.2"
 description = "Python library for development of SciData JSON-LD files"
 authors = [
     "Stuart Chalk <schalk@unf.edu>",
     "Dylan Johnson <n01448636@unf.edu>",
+    "Marshall McDonnell <mcdonnellmt@ornl.gov>,
+]
+license = "MIT"
+readme = "README.md"
+homepage = "https://github.com/ChalkLab/SciDataLib"
+repository = "https://github.com/ChalkLab/SciDataLib"
+keywords = ["scidata", "scidatalib"]
+classifiers = [
+    "Programming Language :: Python :: 3",
+    "License :: OSI Approved :: MIT License",
+    "Operating System :: OS Independent"
 ]
 
 [tool.poetry.scripts]

scidatalib/scidata.py

@@ -206,10 +206,10 @@ def author(self, authors: list, replace=False) -> list:
             for au in authors:
                 auth = {'@id': ('author/' + str(len(a) + 1) + '/')}
                 auth.update({'@type': 'dc:creator'})
-                if type(au) is dict:
+                if isinstance(au, dict):
                     if 'name' in au:
                         auth.update(au)
-                elif type(au) is str:
+                elif isinstance(au, str):
                     auth.update({'name': au})
                 a.append(auth)
             self.meta['@graph']['authors'] = a
@@ -780,7 +780,7 @@ def __iterate_function(self, it, level, cnt_index, cat_index):
                 if isinstance(value, list):
                     level += 1
                     for i, y in enumerate(value):
-                        if type(y) is str:
+                        if isinstance(y, str):
                             pass
                         else:
                             value[i], category, count, new_cat_index = \

setup.cfg

@@ -1,7 +1,7 @@
 [metadata]
 # replace with your username:
 name = SciDataLib
-version = 0.2
+version = 0.2.2
 url = https://github.com/ChalkLab/SciDataLib
 author = 'Dylan Johnson, Marshall McDonnell, Stuart Chalk'
 author_email = 'n01448636@unf.edu, mcdonnellmt@ornl.gov, schalk@unf.edu'

setup.py

@@ -5,21 +5,7 @@
     long_description = fh.read()
 
 setuptools.setup(
-    name="SciDataLib",
-    version="0.2",
-    author="Dylan Johnson, Marshall McDonnell, Stuart Chalk",
-    author_email="n01448636@unf.edu, mcdonnellmt@ornl.gov, schalk@unf.edu",
-    description="Python library for development of SciData JSON-LD files",
-    long_description=long_description,
-    long_description_content_type="text/markdown",
-    url="https://github.com/ChalkLab/SciDataLib",
     packages=setuptools.find_packages(),
-    classifiers=[
-        "Programming Language :: Python :: 3",
-        "License :: OSI Approved :: MIT License",
-        "Operating System :: OS Independent",
-    ],
-    python_requires='>=3.6',
     entry_points={
         'console_scripts': [
             "scidatalib = scidatalib.cli:cli",