improved automotated testing

simongravelle · simongravelle · commit a0b0d7084a6b · 2024-04-20T22:18:27.000+02:00
diff --git a/.gitignore b/.gitignore
@@ -10,5 +10,7 @@ python-codes/*.data
 
 benchmark/*/*.data
 
-./tests/*.data
-./tests/variable.lammps
+tests/*.data
+tests/variable.lammps
+
+automated-testing/generated-codes/*
diff --git a/automated-testing/build-code.sh b/automated-testing/build-code.sh
diff --git a/automated-testing/build-documentation.ipynb b/automated-testing/build-documentation.ipynb
@@ -28,12 +28,12 @@
     "path_to_docs = git_path + \"/mdcourse.github.io/docs/source/chapters/\"\n",
     "\n",
     "class_list = []\n",
-    "for chapter_id in [2, 3]:\n",
+    "for chapter_id in [1, 2, 3]:\n",
     "\n",
     "    folder = \"generated-codes/chapter\"+str(chapter_id)+\"/\"\n",
     "    if os.path.exists(folder) is False:\n",
     "        os.mkdir(folder)\n",
-    "    if chapter_id > 2:\n",
+    "    if chapter_id > 1:\n",
     "        for my_id, class_name in class_list:\n",
     "            if \"test_\" not in class_name:\n",
     "                print(\"generated-codes/chapter\"+str(my_id)+\"/\"+class_name+\".py\")\n",
diff --git a/mdcourse.github.io b/mdcourse.github.io
@@ -1 +1 @@
-Subproject commit 000b807ba16a055f8f05a2d797cb04020d7a5a87
+Subproject commit 319c8d112db38a1e90156cdac45ed2f480173663
diff --git a/python-codes/Functions.py b/python-codes/Functions.py
diff --git a/python-codes/MolecularDynamics.py b/python-codes/MolecularDynamics.py
@@ -6,7 +6,7 @@
 from InitializeSimulation import InitializeSimulation
 from Measurements import Measurements
 
-class MolecularDynamics(InitializeSimulation, Measurements):
+class MolecularDynamics(InitializeSimulation, Measurements): #to fix should be Outputs
     def __init__(self,
                 maximum_steps,
                 tau_temp = None,
