Merge pull request #236 from VlachosGroup/tooltip-test-dev

This pull request changes the `ToolTip` to use a better maintained alternative (as well as a unit test to that effect) and updates the format and build checker GitHub actions to more recent versions of python.

.github/workflows/check_pypi_build.yml

@@ -12,11 +12,13 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - uses: actions/checkout@v2
+      - name: Setup python
+        uses: actions/setup-python@v1
+        with:
+          python-version: '3.9'
+          architecture: x64
       - name: Install Dependencies
         run: |
-          # install our dependencies
-          conda install python=3.7
-          conda install -c rdkit rdkit
           python -m pip install rdkit-pypi
           python -m pip install networkx==2.1
           python -m pip install pycodestyle autopep8

.github/workflows/format_code.yml

@@ -12,12 +12,13 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - uses: actions/checkout@v2
+      - name: Setup python
+        uses: actions/setup-python@v1
+        with:
+          python-version: '3.9'
+          architecture: x64
       - name: Install Dependencies
         run: |
-          # install our dependencies
-          conda install python=3.7
-          conda install -c rdkit rdkit
-          conda list
           python -m pip install rdkit-pypi
           python -m pip install networkx==2.1
           python -m pip install pycodestyle autopep8

.github/workflows/run_tests.yml

@@ -24,6 +24,7 @@ jobs:
           architecture: x64
       - name: Install Dependencies
         run: |
+          sudo apt-get install -y idle3 python3-tk
           python -m pip install rdkit-pypi
           python -m pip install networkx==2.1
           python -m pip install openpyxl

interfaces/UI/AIMSim_ui_main.py

@@ -23,7 +23,7 @@
 
 
 import customtkinter as ctk
-from idlelib.tooltip import ToolTip
+from tktooltip import ToolTip
 
 ctk.set_appearance_mode("dark")  # Modes: system (default), light, dark
 ctk.set_default_color_theme("blue")  # Themes: blue (default), dark-blue, green
@@ -385,46 +385,66 @@ def updateCompatibleMetricsListener(event):
             sticky="w",
         )
 
-        # add tooltips
+        # add ToolTips
         ToolTip(
             self.openConfigButton,
             "Open the config file\nfor the last run",
+            follow=True,
+            delay=2.0,
         )
         ToolTip(
             self.runButton,
-            "Write a config file\nand call AIMSim"
+            "Write a config file\nand call AIMSim",
+            follow=True,
+            delay=2.0,
         )
         ToolTip(
             self.targetMoleculeEntry,
-            "SMILES string or Filepath for an 'external'\nmolecule for comparison to the others"
+            "SMILES string or Filepath for an 'external'\nmolecule for comparison to the others",
+            follow=True,
+            delay=2.0,
         )
         ToolTip(
             self.browseButton,
-            "Open a File Explorer to locate molecules\nin a supported data format"
+            "Open a File Explorer to locate molecules\nin a supported data format",
+            follow=True,
+            delay=2.0,
         )
         ToolTip(
             self.useMeasureSearchCheckbox,
-            "Automatically determines best metric\nfor molecules with responses"
+            "Automatically determines best metric\nfor molecules with responses",
+            follow=True,
+            delay=2.0,
         )
         ToolTip(
             self.showAllDescriptorsButton,
             "Show experimental descriptors from\nother libraries in the dropdown",
+            follow=True,
+            delay=2.0,
         )
         ToolTip(
             self.verboseCheckbutton,
             "Check this for additional output\non the terminal or debugging",
+            follow=True,
+            delay=2.0,
         )
         ToolTip(
             self.identifyOutliersCheckbutton,
             "Isolation Forest to identify outliers\nin sets of molecules with responses",
+            follow=True,
+            delay=2.0,
         )
         ToolTip(
             self.multiprocessingCheckbutton,
             "Allow use of multiple processing\ncores (automatically configured)",
+            follow=True,
+            delay=2.0,
         )
         ToolTip(
             self.molecularDescriptorCombobox,
-            "Tip: Use AIMSim from the command line\nto access descriptors from Mordred and Padel"
+            "Tip: Use AIMSim from the command line\nto access descriptors from Mordred and Padel",
+            follow=True,
+            delay=2.0,
         )
 
     def browseCallback(self):

requirements.txt

@@ -15,3 +15,4 @@ psutil
 padelpy
 plotly
 customtkinter
+tkinter-tooltip

tests/test_ToolTip.py

@@ -0,0 +1,21 @@
+""" Test the ToolTip package (and all UI packages) """
+import unittest
+
+
+class TestToolTip(unittest.TestCase):
+    """
+    Test the ToolTip package (and all UI packages) by importing them
+
+    """
+
+    def test_import(self):
+        """Attempt to import the UI app to ensure imports are correct
+        """
+        try:
+            from interfaces.UI.AIMSim_ui_main import AIMSimUiApp
+        except Exception:
+            self.fail('Unable to import AIMSim UI')
+
+
+if __name__ == "__main__":
+    unittest.main()