From fd329dba54ad9a80d6f71d0cc9451dbdbe527a74 Mon Sep 17 00:00:00 2001 From: "Alberic :)" <160875625+Albericvgn@users.noreply.github.com> Date: Wed, 29 May 2024 18:24:58 +0200 Subject: [PATCH] Add files via upload notebook --- notebooks/notebook.ipynb | 24 ++++++++++++------------ 1 file changed, 12 insertions(+), 12 deletions(-) diff --git a/notebooks/notebook.ipynb b/notebooks/notebook.ipynb index bcb497c..739d6b0 100644 --- a/notebooks/notebook.ipynb +++ b/notebooks/notebook.ipynb @@ -45,7 +45,7 @@ "id": "61e210d6-9a2d-4715-a971-311110f1ce03", "metadata": {}, "source": [ - "1. get_smiles_from_name(name):\n", + "# 1. get_smiles_from_name(name):\n", "\n", "Purpose:\n", "\n", @@ -91,7 +91,7 @@ "id": "11a86a28-e358-4754-9a39-64609c30a9d2", "metadata": {}, "source": [ - "2. count_atoms(smiles):\n", + "# 2. count_atoms(smiles):\n", "\n", "Purpose: \n", "\n", @@ -137,7 +137,7 @@ "id": "ebc7322a-1693-4280-87ed-0ea562ff7d1f", "metadata": {}, "source": [ - "3.solve_ilp(A):\n", + "# 3.solve_ilp(A):\n", "\n", "Purpose:\n", "\n", @@ -188,7 +188,7 @@ "id": "21589719-ce84-4150-a82c-2748e010c8e3", "metadata": {}, "source": [ - "4.get_molecular_formula(smiles):\n", + "# 4.get_molecular_formula(smiles):\n", "\n", "Purpose: \n", "\n", @@ -231,7 +231,7 @@ "id": "4bab4555-7e20-44cf-9816-b9dcd7209286", "metadata": {}, "source": [ - "5.balance_chemical_equation(reactant_smiles, product_smiles):\n", + "# 5.balance_chemical_equation(reactant_smiles, product_smiles):\n", "\n", "Purpose: \n", "\n", @@ -301,7 +301,7 @@ "id": "a74a06c7-2ee8-4be8-af5a-ce6414af317d", "metadata": {}, "source": [ - "6. setup_matrix(elements, compounds)\n", + "# 6. setup_matrix(elements, compounds)\n", "\n", "Purpose:\n", " \n", @@ -346,7 +346,7 @@ "id": "dd225842-caff-4ded-ab0d-7d313c6b17bb", "metadata": {}, "source": [ - "7. display_reaction(reactants, products)\n", + "# 7. display_reaction(reactants, products)\n", "\n", "Purpose:\n", " \n", @@ -403,7 +403,7 @@ "id": "3165ea77-1b84-4f8d-96c2-a0191803ed9e", "metadata": {}, "source": [ - "9. create_reaction_string(reactants, products)\n", + "# 8. create_reaction_string(reactants, products)\n", "\n", "Purpose:\n", " \n", @@ -445,7 +445,7 @@ "id": "91e1e1a6-f802-4bf7-8f13-8caaad2f03a3", "metadata": {}, "source": [ - "9. display_svg(svg)\n", + "# 9. display_svg(svg)\n", "\n", "Purpose: \n", " \n", @@ -486,7 +486,7 @@ "id": "69babbe5-68df-4876-8513-fdd08e5135dc", "metadata": {}, "source": [ - "10. compound_state\n", + "# 10. compound_state\n", "\n", "Purpose: \n", " \n", @@ -533,7 +533,7 @@ "id": "cfb82b0e-c8af-4034-be31-bfee5614cd9a", "metadata": {}, "source": [ - "11. enthalpy\n", + "# 11. enthalpy\n", "\n", "Purpose: \n", "\n", @@ -577,7 +577,7 @@ "id": "2697a156-d4ca-4168-a3c1-6e7263e13153", "metadata": {}, "source": [ - "12. entropy\n", + "# 12. entropy\n", "\n", "Purpose: \n", " \n",