diff --git a/docs/source/examples/JN_02_analysis.ipynb b/docs/source/examples/JN_02_analysis.ipynb index 70a3a23..dc15f26 100644 --- a/docs/source/examples/JN_02_analysis.ipynb +++ b/docs/source/examples/JN_02_analysis.ipynb @@ -24,9 +24,18 @@ }, { "cell_type": "code", - "execution_count": 2, + "execution_count": 1, "metadata": {}, - "outputs": [], + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Set parameter Username\n", + "Academic license - for non-commercial use only - expires 2022-07-13\n" + ] + } + ], "source": [ "import cobra\n", "import straindesign as sd\n", @@ -126,14 +135,14 @@ }, { "cell_type": "code", - "execution_count": 12, + "execution_count": 5, "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ - "The sum of fluxes of the regular FBA: 2508.293334194643is usually higher than of the parsimoniuos FBA: 518.4220855176071\n" + "The sum of fluxes of the regular FBA: 2508.293334194643 is usually higher than of the parsimoniuos FBA: 518.4220855176071\n" ] } ], @@ -153,7 +162,7 @@ }, { "cell_type": "code", - "execution_count": 16, + "execution_count": 6, "metadata": {}, "outputs": [ { @@ -182,7 +191,7 @@ }, { "cell_type": "code", - "execution_count": 17, + "execution_count": 7, "metadata": {}, "outputs": [ { @@ -191,7 +200,7 @@ "{'cplex', 'glpk', 'gurobi', 'scip'}" ] }, - "execution_count": 17, + "execution_count": 7, "metadata": {}, "output_type": "execute_result" } @@ -209,7 +218,7 @@ }, { "cell_type": "code", - "execution_count": 11, + "execution_count": 8, "metadata": {}, "outputs": [ { @@ -235,14 +244,14 @@ }, { "cell_type": "code", - "execution_count": 25, + "execution_count": 9, "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ - "When the model's solver is '', StrainDesign selects gurobi.\n" + "When the model's solver is '', StrainDesign selects gurobi.\n" ] } ], @@ -259,7 +268,7 @@ }, { "cell_type": "code", - "execution_count": 28, + "execution_count": 10, "metadata": {}, "outputs": [ { @@ -290,7 +299,7 @@ }, { "cell_type": "code", - "execution_count": 18, + "execution_count": 11, "metadata": {}, "outputs": [ { @@ -328,7 +337,7 @@ }, { "cell_type": "code", - "execution_count": 21, + "execution_count": 12, "metadata": {}, "outputs": [ { @@ -373,15 +382,19 @@ }, { "cell_type": "code", - "execution_count": 68, + "execution_count": 13, "metadata": {}, "outputs": [ { - "name": "stdout", - "output_type": "stream", - "text": [ - "Minimum yield (FBA): 0.031965425062067315.\n", - "Minimum yield (yOpt): 0.03629426243040193.\n" + "ename": "AttributeError", + "evalue": "'DataFrame' object has no attribute 'fluxes'", + "output_type": "error", + "traceback": [ + "\u001b[1;31m---------------------------------------------------------------------------\u001b[0m", + "\u001b[1;31mAttributeError\u001b[0m Traceback (most recent call last)", + "\u001b[1;32mc:\\Users\\Philipp\\Documents\\Python\\straindesign\\docs\\source\\examples\\JN_02_analysis.ipynb Cell 29'\u001b[0m in \u001b[0;36m\u001b[1;34m()\u001b[0m\n\u001b[0;32m 3\u001b[0m constraint \u001b[39m=\u001b[39m \u001b[39m'\u001b[39m\u001b[39m-EX_o2_e <= 3\u001b[39m\u001b[39m'\u001b[39m\n\u001b[0;32m 5\u001b[0m sol_fba \u001b[39m=\u001b[39m sd\u001b[39m.\u001b[39mfba(model,obj\u001b[39m=\u001b[39m\u001b[39m'\u001b[39m\u001b[39mBIOMASS_Ecoli_core_w_GAM\u001b[39m\u001b[39m'\u001b[39m,obj_sense\u001b[39m=\u001b[39m\u001b[39m'\u001b[39m\u001b[39mmaximize\u001b[39m\u001b[39m'\u001b[39m,constraints\u001b[39m=\u001b[39mconstraint)\n\u001b[1;32m----> 6\u001b[0m fba_yield \u001b[39m=\u001b[39m solution\u001b[39m.\u001b[39;49mfluxes[numerator] \u001b[39m/\u001b[39m \u001b[39m-\u001b[39msolution\u001b[39m.\u001b[39mfluxes[\u001b[39m'\u001b[39m\u001b[39mEX_glc__D_e\u001b[39m\u001b[39m'\u001b[39m] \n\u001b[0;32m 8\u001b[0m sol_yopt \u001b[39m=\u001b[39m sd\u001b[39m.\u001b[39myopt(model,obj_num\u001b[39m=\u001b[39mnumerator,obj_den\u001b[39m=\u001b[39mdenominator,obj_sense\u001b[39m=\u001b[39m\u001b[39m'\u001b[39m\u001b[39mmaximize\u001b[39m\u001b[39m'\u001b[39m,constraints\u001b[39m=\u001b[39mconstraint)\n\u001b[0;32m 9\u001b[0m yopt_yield \u001b[39m=\u001b[39m sol_yopt\u001b[39m.\u001b[39mobjective_value\n", + "File \u001b[1;32mc:\\Users\\Philipp\\anaconda3\\envs\\cnapy-dev\\lib\\site-packages\\pandas\\core\\generic.py:5575\u001b[0m, in \u001b[0;36mNDFrame.__getattr__\u001b[1;34m(self, name)\u001b[0m\n\u001b[0;32m 5568\u001b[0m \u001b[39mif\u001b[39;00m (\n\u001b[0;32m 5569\u001b[0m name \u001b[39mnot\u001b[39;00m \u001b[39min\u001b[39;00m \u001b[39mself\u001b[39m\u001b[39m.\u001b[39m_internal_names_set\n\u001b[0;32m 5570\u001b[0m \u001b[39mand\u001b[39;00m name \u001b[39mnot\u001b[39;00m \u001b[39min\u001b[39;00m \u001b[39mself\u001b[39m\u001b[39m.\u001b[39m_metadata\n\u001b[0;32m 5571\u001b[0m \u001b[39mand\u001b[39;00m name \u001b[39mnot\u001b[39;00m \u001b[39min\u001b[39;00m \u001b[39mself\u001b[39m\u001b[39m.\u001b[39m_accessors\n\u001b[0;32m 5572\u001b[0m \u001b[39mand\u001b[39;00m \u001b[39mself\u001b[39m\u001b[39m.\u001b[39m_info_axis\u001b[39m.\u001b[39m_can_hold_identifiers_and_holds_name(name)\n\u001b[0;32m 5573\u001b[0m ):\n\u001b[0;32m 5574\u001b[0m \u001b[39mreturn\u001b[39;00m \u001b[39mself\u001b[39m[name]\n\u001b[1;32m-> 5575\u001b[0m \u001b[39mreturn\u001b[39;00m \u001b[39mobject\u001b[39;49m\u001b[39m.\u001b[39;49m\u001b[39m__getattribute__\u001b[39;49m(\u001b[39mself\u001b[39;49m, name)\n", + "\u001b[1;31mAttributeError\u001b[0m: 'DataFrame' object has no attribute 'fluxes'" ] } ], @@ -434,11 +447,11 @@ "\\begin{array}{l c}\n", "\t\\text{maximize} \\; & y \\\\\\\\\n", "\t\\text{subject to} &\n", - "\t\\begin{bmatrix*}[r]\n", + "\t\\begin{bmatrix}\n", "\t\t\\mathbf{A~} & \\mathbf{-b} & \\mathbf{0} \\\\\n", "\t\t\\mathbf{d}^\\intercal & 0 \t\t & 0 \\\\\n", "\t\t\\mathbf{c}^\\intercal & 0 \t\t & -1 \\\\\n", - "\t\\end{bmatrix*} \n", + "\t\\end{bmatrix} \n", "\t\\begin{bmatrix}\\mathbf{\\tilde{x}} \\\\ e \\\\ y \\end{bmatrix} \n", "\t\\begin{matrix} \\le \\\\ = \\\\ = \\end{matrix} \n", "\t\\begin{bmatrix}\\mathbf{0} \\\\ 1 \\\\ 0 \\end{bmatrix}\\\\\\\\\n",