create develop branch

rename and split notebook tidy up update markdown
FAIRChemistry · Sep 18, 2023 · 0120803 · 0120803
1 parent 005228e
commit 0120803
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Showing 41 changed files with 644,315 additions and 1,028 deletions.
diff --git a/.gitignore b/.gitignore
@@ -14,5 +14,5 @@ data/
 *.pyc
 
 .datamodel_b07_tc/core
-
-.datamodel_b07_tc/__pycache__
+.datamodel_b07_tc/__pycache__
+todo.txt
diff --git a/main.ipynb → 1.1_Main.ipynb b/main.ipynb → 1.1_Main.ipynb
@@ -24,7 +24,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 1,
+   "execution_count": 8,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -42,7 +42,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 2,
+   "execution_count": 9,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -67,20 +67,20 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 3,
+   "execution_count": 10,
    "metadata": {},
    "outputs": [
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
       "{\n",
-      "  \"id\": \"dataset0\",\n",
+      "  \"id\": \"dataset1\",\n",
       "  \"__source__\": {\n",
       "    \"root\": \"Dataset\",\n",
       "    \"repo\": \"https://github.com/FAIRChemistry/datamodel_b07_tc.git\",\n",
-      "    \"commit\": \"1bdb0deb23b5533debf35363fb3cf66df125fede\",\n",
-      "    \"url\": \"https://github.com/FAIRChemistry/datamodel_b07_tc/tree/1bdb0deb23b5533debf35363fb3cf66df125fede\"\n",
+      "    \"commit\": \"005228eb2c0d9caabfcafaec52c3315f2e130e58\",\n",
+      "    \"url\": \"https://github.com/FAIRChemistry/datamodel_b07_tc/tree/005228eb2c0d9caabfcafaec52c3315f2e130e58\"\n",
       "  }\n",
       "}\n"
      ]
@@ -101,7 +101,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 4,
+   "execution_count": 11,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -121,7 +121,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 5,
+   "execution_count": 12,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -139,7 +139,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 6,
+   "execution_count": 13,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -155,7 +155,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 7,
+   "execution_count": 14,
    "metadata": {},
    "outputs": [],
    "source": [

diff --git a/experimental_tc.ipynb → 2.1_Experimental_parsing.ipynb b/experimental_tc.ipynb → 2.1_Experimental_parsing.ipynb