easydiffraction 0.1.2__tar.gz → 0.1.4__tar.gz

{easydiffraction-0.1.2 → easydiffraction-0.1.4}/.github/workflows/test-code.yaml

@@ -12,8 +12,21 @@
 
 name: Test code
 
-# Trigger the workflow on push, pull request and manual trigger
-on: [push, pull_request, workflow_call]
+on:
+  # Trigger the workflow on push
+  push:
+    # Every branch
+    branches:
+      - "**"
+    # But do not run this workflow on creating a new tag starting with 'v', e.g. 'v1.0.3' (see pypi-publish.yml)
+    tags-ignore:
+      - 'v*'
+  # Trigger the workflow on pull request
+  pull_request:
+    branches:
+      - "**"
+  # Allows you to run this workflow manually from the Actions tab
+  workflow_dispatch:
 
 # Allow only one concurrent workflow, skipping runs queued between the run in-progress and latest queued.
 # And cancel in-progress runs.

{easydiffraction-0.1.2 → easydiffraction-0.1.4}/.github/workflows/test-ipynb.yml

@@ -2,8 +2,21 @@
 
 name: Test Jupyter notebooks
 
-# Trigger the workflow on push, pull request and manual trigger
-on: [push, pull_request, workflow_call]
+on:
+  # Trigger the workflow on push
+  push:
+    # Every branch
+    branches:
+      - "**"
+    # But do not run this workflow on creating a new tag starting with 'v', e.g. 'v1.0.3' (see pypi-publish.yml)
+    tags-ignore:
+      - 'v*'
+  # Trigger the workflow on pull request
+  pull_request:
+    branches:
+      - "**"
+  # Allows you to run this workflow manually from the Actions tab
+  workflow_dispatch:
 
 # Allow only one concurrent workflow, skipping runs queued between the run in-progress and latest queued.
 # And cancel in-progress runs.

{easydiffraction-0.1.2 → easydiffraction-0.1.4}/.github/workflows/test-package.yaml

@@ -12,8 +12,21 @@
 
 name: Build and test package
 
-# Trigger the workflow on push, pull request and manual trigger
-on: [push, pull_request, workflow_call]
+on:
+  # Trigger the workflow on push
+  push:
+    # Every branch
+    branches:
+      - "**"
+    # But do not run this workflow on creating a new tag starting with 'v', e.g. 'v1.0.3' (see pypi-publish.yml)
+    tags-ignore:
+      - 'v*'
+  # Trigger the workflow on pull request
+  pull_request:
+    branches:
+      - "**"
+  # Allows you to run this workflow manually from the Actions tab
+  workflow_dispatch:
 
 # Allow only one concurrent workflow, skipping runs queued between the run in-progress and latest queued.
 # And cancel in-progress runs.

{easydiffraction-0.1.2 → easydiffraction-0.1.4}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.3
 Name: easydiffraction
-Version: 0.1.2
+Version: 0.1.4
 Summary: Making diffraction data analysis and modelling easy
 Project-URL: homepage, https://easydiffraction.org
 Project-URL: documentation, https://docs.easydiffraction.org/lib

{easydiffraction-0.1.2 → easydiffraction-0.1.4}/easydiffraction/Job.py

@@ -63,6 +63,7 @@ except ImportError:
     print("pandas not installed")
 
 try:
+    from IPython.display import HTML
     from IPython.display import display
 except ImportError:
     pass
@@ -939,27 +940,27 @@ class DiffractionJob(JobBase):
         return f'{parent_name}.{display_name}'
 
     def _parameters(self):
-        parameters = {'name': [], 'value': [], 'error': [], 'unit': [], 'min': [], 'max': [], 'vary': []}
+        parameters = {'name': [], 'value': [], 'unit': [], 'error': [], 'min': [], 'max': [], 'vary': []}
         for parameter in self.get_parameters():
             if parameter.enabled:
                 name = self.get_full_parameter_name(parameter.unique_name, parameter.display_name, parameter.url)
-                parameters['name'].append(name)
+                parameters['name'].append(f'<name>{name}</name>')
                 parameters['value'].append(parameter.raw_value)
+                parameters['unit'].append(f'<unit>{parameter.unit:~P}</unit>')
                 parameters['error'].append(parameter.error) if parameter.error else parameters['error'].append('')
-                parameters['unit'].append(f'{parameter.unit:~P}')
                 parameters['min'].append(parameter.min)
                 parameters['max'].append(parameter.max)
                 parameters['vary'].append(parameter.free) if parameter.free else parameters['vary'].append('')
         return parameters
 
     def _free_parameters(self):
-        parameters = {'name': [], 'value': [], 'error': [], 'unit': []}
+        parameters = {'name': [], 'value': [], 'unit': [], 'error': []}
         for parameter in self.get_fit_parameters():
             name = self.get_full_parameter_name(parameter.unique_name, parameter.display_name, parameter.url)
-            parameters['name'].append(name)
+            parameters['name'].append(f'<name>{name}</name>')
             parameters['value'].append(parameter.raw_value)
+            parameters['unit'].append(f'<unit>{parameter.unit:~P}</unit>')
             parameters['error'].append(parameter.error)
-            parameters['unit'].append(f'{parameter.unit:~P}')
         return parameters
 
     def _show_parameters(self, parameters):
@@ -970,11 +971,19 @@ class DiffractionJob(JobBase):
             df = pd.DataFrame(parameters)
             df.index += 1
             if self.is_notebook():
-                display(df.
-                        style.  # apply styles from below
-                        set_table_styles([dict(selector='th', props=[('text-align', 'left')])]).  # align header to left
-                        set_properties(subset=['name'], **{'text-align': 'left'}).  # align column 'name' to left
-                        format(precision=5))  # set precision
+                # convert the DataFrame to HTML
+                html = df.to_html(escape=False)
+                # align the header of the column 'name' to the left
+                html = html.replace('<th>name', '<th style="text-align: left;">name')
+                # remove the header of the column 'unit'
+                html = html.replace('<th>unit', '<th>')
+                # align the cells in the column 'name' to the left
+                html = html.replace('<td><name>', '<td style="text-align: left;">')
+                html = html.replace('</name></td>', '</td>')
+                # align the cells in the column 'unit' to the left and remove the left padding
+                html = html.replace('<td><unit>', '<td style="text-align: left; padding-left: 0px">')
+                html = html.replace('</unit></td>', '</td>')
+                display(HTML(html))
             else:
                 print(df)
         else:

{easydiffraction-0.1.2 → easydiffraction-0.1.4}/examples/Change_minimizer.ipynb

@@ -59,7 +59,7 @@
     "    print(\"Running in Google Colab\")\n",
     "    # Install the easydiffraction library if it is not installed (including charts extras)\n",
     "    if importlib.util.find_spec(\"easydiffraction\") is None:\n",
-    "        !pip install 'easydiffraction[charts]' --extra-index-url https://easyscience.github.io/pypi\n",
+    "        !pip install 'easydiffraction[charts]'\n",
     "    # Download the data files to be read in notebook\n",
     "    for fname in ['lbco.cif', 'hrpt.xye']:\n",
     "        pooch.retrieve(\n",

{easydiffraction-0.1.2 → easydiffraction-0.1.4}/examples/Fitting_PD-NEUT-CW_LBCO-HRPT.ipynb

@@ -59,7 +59,7 @@
     "    print(\"Running in Google Colab\")\n",
     "    # Install the easydiffraction library if it is not installed (including charts extras)\n",
     "    if importlib.util.find_spec(\"easydiffraction\") is None:\n",
-    "        !pip install 'easydiffraction[charts]' --extra-index-url https://easyscience.github.io/pypi\n",
+    "        !pip install 'easydiffraction[charts]'\n",
     "    # Download the data files to be read in notebook\n",
     "    for fname in ['lbco.cif', 'hrpt.xye']:\n",
     "        pooch.retrieve(\n",

{easydiffraction-0.1.2 → easydiffraction-0.1.4}/examples/Fitting_PD-NEUT-TOF_NCAF-WISH.ipynb

@@ -59,7 +59,7 @@
     "    print(\"Running in Google Colab\")\n",
     "    # Install the easydiffraction library if it is not installed (including charts extras)\n",
     "    if importlib.util.find_spec(\"easydiffraction\") is None:\n",
-    "        !pip install 'easydiffraction[charts]' --extra-index-url https://easyscience.github.io/pypi\n",
+    "        !pip install 'easydiffraction[charts]'\n",
     "    # Download the data files to be read in notebook\n",
     "    for fname in ['ncaf.cif', 'wish.xye']:\n",
     "        pooch.retrieve(\n",

{easydiffraction-0.1.2 → easydiffraction-0.1.4}/examples/Fitting_PD-NEUT-TOF_Si-SEPD.ipynb

@@ -55,7 +55,7 @@
     "    print(\"Running in Google Colab\")\n",
     "    # Install the easydiffraction library if it is not installed (including charts extras)\n",
     "    if importlib.util.find_spec(\"easydiffraction\") is None:\n",
-    "        !pip install 'easydiffraction[charts]' --extra-index-url https://easyscience.github.io/pypi\n",
+    "        !pip install 'easydiffraction[charts]'\n",
     "    # Download the data files to be read in notebook\n",
     "    for fname in ['sepd.xye']:\n",
     "        pooch.retrieve(\n",

{easydiffraction-0.1.2 → easydiffraction-0.1.4}/pyproject.toml

@@ -2,7 +2,7 @@
 
 [project]
 name = 'easydiffraction'
-version = '0.1.2'
+version = '0.1.4'
 description = 'Making diffraction data analysis and modelling easy'
 authors = [{name = 'EasyDiffractionLib contributors'}]
 readme = 'README.md'