diff --git a/notebooks/wu2004.ipynb b/notebooks/wu2004.ipynb index b618ad7..d3d97c3 100644 --- a/notebooks/wu2004.ipynb +++ b/notebooks/wu2004.ipynb @@ -2,7 +2,7 @@ "cells": [ { "cell_type": "code", - "execution_count": 7, + "execution_count": 1, "metadata": {}, "outputs": [], "source": [ @@ -31,9 +31,25 @@ }, { "cell_type": "code", - "execution_count": 8, + "execution_count": 2, "metadata": {}, - "outputs": [], + "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/var/folders/k9/b8pxky2572sdtgy2vnxhcljw0000gn/T/ipykernel_86103/3008229323.py:4: DeprecationWarning: \n", + "Pyarrow will become a required dependency of pandas in the next major release of pandas (pandas 3.0),\n", + "(to allow more performant data types, such as the Arrow string type, and better interoperability with other libraries)\n", + "but was not found to be installed on your system.\n", + "If this would cause problems for you,\n", + "please provide us feedback at https://github.com/pandas-dev/pandas/issues/54466\n", + " \n", + " import pandas as pd\n", + "WARNING (pytensor.tensor.blas): Using NumPy C-API based implementation for BLAS functions.\n" + ] + } + ], "source": [ "import numpy as np\n", "np.random.seed(0)\n", @@ -51,7 +67,7 @@ }, { "cell_type": "code", - "execution_count": 9, + "execution_count": 3, "metadata": {}, "outputs": [], "source": [ @@ -72,9 +88,17 @@ }, { "cell_type": "code", - "execution_count": 55, + "execution_count": 4, "metadata": {}, - "outputs": [], + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Set parameter TokenServer to value \"leghorn.emsl.pnl.gov\"\n" + ] + } + ], "source": [ "import cobra\n", "\n", @@ -126,7 +150,7 @@ }, { "cell_type": "code", - "execution_count": 41, + "execution_count": 5, "metadata": {}, "outputs": [ { @@ -139,7 +163,7 @@ " [ 0, 1, 0, 0, -1, 0]])" ] }, - "execution_count": 41, + "execution_count": 5, "metadata": {}, "output_type": "execute_result" } @@ -152,7 +176,7 @@ }, { "cell_type": "code", - "execution_count": 67, + "execution_count": 6, "metadata": {}, "outputs": [ { @@ -167,7 +191,7 @@ "Name: fluxes, dtype: float64" ] }, - "execution_count": 67, + "execution_count": 6, "metadata": {}, "output_type": "execute_result" } @@ -180,7 +204,7 @@ }, { "cell_type": "code", - "execution_count": 83, + "execution_count": 7, "metadata": {}, "outputs": [ { @@ -218,6 +242,14 @@ "Ex = emll.create_elasticity_matrix(model)\n", "display(Ex)\n", "\n", + "#### Original code to geneate Ey and ll ####\n", + "# Ey = np.zeros((3, 2))\n", + "# Ey[0, 0] = 1 # bpg (+) PGM\n", + "# Ey[2, 1] = 1 # adp (+) PK\n", + "\n", + "# ll = emll.LinLogSymbolic2x2(N, Ex, Ey, v_star)\n", + "\n", + "# Updated code to generate Ey and ll corresponding to updated cobra model\n", "Ey = np.zeros((6, 2))\n", "Ey[0, 0] = 1 # 2pg_e (+) EX_2pg_e\n", "Ey[5, 1] = 1 # pep_e (+) EX_pep_e\n", @@ -235,7 +267,7 @@ }, { "cell_type": "code", - "execution_count": 84, + "execution_count": 8, "metadata": {}, "outputs": [ { @@ -338,7 +370,7 @@ "4 25.0 12.0 30.0 54.0 76.0 13.2 130.0 136.0" ] }, - "execution_count": 84, + "execution_count": 8, "metadata": {}, "output_type": "execute_result" } @@ -358,7 +390,7 @@ }, { "cell_type": "code", - "execution_count": 85, + "execution_count": 9, "metadata": {}, "outputs": [], "source": [ @@ -389,7 +421,7 @@ }, { "cell_type": "code", - "execution_count": 86, + "execution_count": 10, "metadata": {}, "outputs": [ { @@ -398,7 +430,7 @@ "array([87., 87., 87.])" ] }, - "execution_count": 86, + "execution_count": 10, "metadata": {}, "output_type": "execute_result" } @@ -409,7 +441,7 @@ }, { "cell_type": "code", - "execution_count": 87, + "execution_count": 11, "metadata": {}, "outputs": [ { @@ -418,7 +450,7 @@ "19" ] }, - "execution_count": 87, + "execution_count": 11, "metadata": {}, "output_type": "execute_result" } @@ -454,31 +486,6 @@ "ll = emll.LinLogLeastNorm(N, Ex, Ey, v_star)" ] }, - { - "cell_type": "code", - "execution_count": 88, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "array([[1., 0.],\n", - " [0., 0.],\n", - " [0., 0.],\n", - " [0., 0.],\n", - " [0., 0.],\n", - " [0., 1.]])" - ] - }, - "execution_count": 88, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "Ey" - ] - }, { "cell_type": "markdown", "metadata": {}, @@ -490,27 +497,7 @@ }, { "cell_type": "code", - "execution_count": 89, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "(5, 6)" - ] - }, - "execution_count": 89, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "N.shape" - ] - }, - { - "cell_type": "code", - "execution_count": 90, + "execution_count": 12, "metadata": {}, "outputs": [ { @@ -519,7 +506,7 @@ "Text(0, 0.5, 'Probability density')" ] }, - "execution_count": 90, + "execution_count": 12, "metadata": {}, "output_type": "execute_result" }, @@ -559,7 +546,7 @@ }, { "cell_type": "code", - "execution_count": 91, + "execution_count": 13, "metadata": {}, "outputs": [ { @@ -611,9 +598,16 @@ "print(initialize_elasticity.__doc__)" ] }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Sample prior predictive trace" + ] + }, { "cell_type": "code", - "execution_count": 92, + "execution_count": 14, "metadata": {}, "outputs": [ { @@ -637,7 +631,7 @@ }, { "cell_type": "code", - "execution_count": 93, + "execution_count": 15, "metadata": {}, "outputs": [ { @@ -651,8 +645,8 @@ "
\n", " \n", " \n", " \n", @@ -1560,7 +1555,7 @@ "\t> prior" ] }, - "execution_count": 93, + "execution_count": 15, "metadata": {}, "output_type": "execute_result" } @@ -1569,9 +1564,643 @@ "trace_prior" ] }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Sample FCCs from the prior predictive trace, and organize into dataframe\n" + ] + }, { "cell_type": "code", - "execution_count": 94, + "execution_count": 22, + "metadata": {}, + "outputs": [ + { + "data": { + "text/html": [ + "
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FCC_ref0123456789...490491492493494495496497498499
Reaction
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EX_2pg_e0.261289-12.7885740.6823380.1749290.8496620.370961-0.1375700.1090060.521470-0.052516...0.0326970.076065-0.0736430.0068260.7972950.074228-0.8548800.2930060.9374280.146382
EX_pep_e0.3055141.4535450.0491010.392880-0.0194260.3774810.4219380.072107-1.1538540.145936...0.0103830.3561430.0186490.975294-0.0622710.1959381.9753250.037652-0.0689440.035734
PGM0.1318813.3583880.0743270.0843720.2111940.088608-0.1045770.6809550.4087710.025443...0.2149960.0760710.026660-0.0148420.0963650.085245-3.7182520.2226370.0454730.189378
PK0.0925790.8508610.1063880.064738-0.0698450.1048870.4935020.0454690.0158290.156662...0.1013260.1366580.0378470.0309760.0497410.1609821.3191450.1358410.0335740.124061
SK_adp_c0.1614420.0995750.0248340.158194-0.1667970.0414390.2199320.0870820.2893960.571498...0.1992720.0092590.950725-0.0166680.0584800.4077750.6347750.2425270.0349130.328183
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" + ], + "text/plain": [ + " level_0 index Reaction FCC Type\n", + "0 2 0.0 PGM 0.131881 New\n", + "1 3 0.0 ENO 0.047295 New\n", + "2 4 0.0 PK 0.092579 New\n", + "3 8 1.0 PGM 3.358388 New\n", + "4 9 1.0 ENO 8.026206 New\n", + "... ... ... ... ... ...\n", + "2995 498 NaN PGM -0.216049 Old\n", + "2996 498 NaN PK 0.876267 Old\n", + "2997 499 NaN ENO -0.160071 Old\n", + "2998 499 NaN PGM 1.124280 Old\n", + "2999 499 NaN PK 0.035792 Old\n", + "\n", + "[3000 rows x 5 columns]" + ] + }, + "metadata": {}, + "output_type": "display_data" + }, + { + "data": { + "text/plain": [ + "" + ] + }, + "execution_count": 48, + "metadata": {}, + "output_type": "execute_result" + }, + { + "data": { + "image/png": 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", + "text/plain": [ + "
" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], + "source": [ + "# Create violin plot for 'Prior' FCCs to compare results from original wu2004.ipynb vs. one with an updated cobra model & elasticity matrices\n", + "import seaborn as sns\n", + "data_prior = pd.DataFrame(fcc_prior[:, 0], columns=[r.id for r in model.reactions]\n", + " ).stack().reset_index(level=1)\n", + "data_prior['type'] = 'New'\n", + "data_prior.columns = ['Reaction', 'FCC', 'Type']\n", + "data_prior = data_prior.reset_index()\n", + "\n", + "# Filter df to only keep FCCs of reactions of interest\n", + "keep_rxns = ['PGM', 'ENO', 'PK']\n", + "plot_df = data_prior.iloc[[i for i in data_prior.index if data_prior.Reaction[i] in ['PGM', 'ENO', 'PK']]]\n", + "display(plot_df)\n", + "\n", + "# Load original cobra model prior FCC samples\n", + "orig_data_prior = pd.read_csv(\"../tests/test_data/expected_wu2004_FCCpriors.csv\", index_col=0)\n", + "orig_data_prior = orig_data_prior.T.stack().reset_index(level=1)\n", + "orig_data_prior['type'] = 'Old'\n", + "orig_data_prior.columns = ['Reaction', 'FCC', 'Type']\n", + "\n", + "plot_df = pd.concat([plot_df, orig_data_prior]).reset_index()\n", + "display(plot_df)\n", + "\n", + "this_pal = my_pal = {\"New\": \"r\", \"Old\": \"b\"}\n", + "\n", + "sns.violinplot(\n", + " x='Reaction', y='FCC', hue='Type', data=plot_df,\n", + " density_norm='width', width=0.5, palette=this_pal, saturation=1.\n", + ")\n", + "\n" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Now, continue with posterior predictive" + ] + }, + { + "cell_type": "code", + "execution_count": 17, "metadata": {}, "outputs": [ { @@ -1587,7 +2216,7 @@ "\u001b[0;31mValueError\u001b[0m: ", "\nDuring handling of the above exception, another exception occurred:\n", "\u001b[0;31mValueError\u001b[0m Traceback (most recent call last)", - "Cell \u001b[0;32mIn[94], line 8\u001b[0m\n\u001b[1;32m 5\u001b[0m x_err \u001b[38;5;241m=\u001b[39m pm\u001b[38;5;241m.\u001b[39mHalfNormal(\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mx_error\u001b[39m\u001b[38;5;124m'\u001b[39m, sigma\u001b[38;5;241m=\u001b[39m\u001b[38;5;241m0.05\u001b[39m, initval\u001b[38;5;241m=\u001b[39m\u001b[38;5;241m.1\u001b[39m)\n\u001b[1;32m 7\u001b[0m \u001b[38;5;66;03m# Calculate steady-state concentrations and fluxes from elasticities\u001b[39;00m\n\u001b[0;32m----> 8\u001b[0m chi_ss, v_hat_ss \u001b[38;5;241m=\u001b[39m \u001b[43mll\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43msteady_state_pytensor\u001b[49m\u001b[43m(\u001b[49m\u001b[43mEx_t\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mEy_t\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43men\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43myn\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 10\u001b[0m \u001b[38;5;66;03m# Error distributions for observed steady-state concentrations and fluxes\u001b[39;00m\n\u001b[1;32m 11\u001b[0m chi_obs \u001b[38;5;241m=\u001b[39m pm\u001b[38;5;241m.\u001b[39mNormal(\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mchi_obs\u001b[39m\u001b[38;5;124m'\u001b[39m, mu\u001b[38;5;241m=\u001b[39mchi_ss, sigma\u001b[38;5;241m=\u001b[39mx_err, observed\u001b[38;5;241m=\u001b[39mxn)\n", + "Cell \u001b[0;32mIn[17], line 8\u001b[0m\n\u001b[1;32m 5\u001b[0m x_err \u001b[38;5;241m=\u001b[39m pm\u001b[38;5;241m.\u001b[39mHalfNormal(\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mx_error\u001b[39m\u001b[38;5;124m'\u001b[39m, sigma\u001b[38;5;241m=\u001b[39m\u001b[38;5;241m0.05\u001b[39m, initval\u001b[38;5;241m=\u001b[39m\u001b[38;5;241m.1\u001b[39m)\n\u001b[1;32m 7\u001b[0m \u001b[38;5;66;03m# Calculate steady-state concentrations and fluxes from elasticities\u001b[39;00m\n\u001b[0;32m----> 8\u001b[0m chi_ss, v_hat_ss \u001b[38;5;241m=\u001b[39m \u001b[43mll\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43msteady_state_pytensor\u001b[49m\u001b[43m(\u001b[49m\u001b[43mEx_t\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mEy_t\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43men\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43myn\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 10\u001b[0m \u001b[38;5;66;03m# Error distributions for observed steady-state concentrations and fluxes\u001b[39;00m\n\u001b[1;32m 11\u001b[0m chi_obs \u001b[38;5;241m=\u001b[39m pm\u001b[38;5;241m.\u001b[39mNormal(\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mchi_obs\u001b[39m\u001b[38;5;124m'\u001b[39m, mu\u001b[38;5;241m=\u001b[39mchi_ss, sigma\u001b[38;5;241m=\u001b[39mx_err, observed\u001b[38;5;241m=\u001b[39mxn)\n", "File \u001b[0;32m~/Repos/emll/src/emll/linlog_model.py:146\u001b[0m, in \u001b[0;36mLinLogBase.steady_state_pytensor\u001b[0;34m(self, Ex, Ey, en, yn, method)\u001b[0m\n\u001b[1;32m 143\u001b[0m en \u001b[38;5;241m=\u001b[39m at\u001b[38;5;241m.\u001b[39mas_tensor_variable(en)\n\u001b[1;32m 144\u001b[0m yn \u001b[38;5;241m=\u001b[39m at\u001b[38;5;241m.\u001b[39mas_tensor_variable(yn)\n\u001b[0;32m--> 146\u001b[0m e_diag \u001b[38;5;241m=\u001b[39m \u001b[43men\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mdimshuffle\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m0\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m1\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43mx\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m)\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43m \u001b[49m\u001b[43mnp\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mdiag\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mv_star\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 147\u001b[0m N_rep \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mNr\u001b[38;5;241m.\u001b[39mreshape((\u001b[38;5;241m-\u001b[39m\u001b[38;5;241m1\u001b[39m, \u001b[38;5;241m*\u001b[39m\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mNr\u001b[38;5;241m.\u001b[39mshape))\u001b[38;5;241m.\u001b[39mrepeat(n_exp, axis\u001b[38;5;241m=\u001b[39m\u001b[38;5;241m0\u001b[39m)\n\u001b[1;32m 148\u001b[0m N_hat \u001b[38;5;241m=\u001b[39m at\u001b[38;5;241m.\u001b[39mbatched_dot(N_rep, e_diag)\n", "File \u001b[0;32m~/.pyenv/versions/3.11.5/envs/bmca/lib/python3.11/site-packages/pytensor/tensor/variable.py:133\u001b[0m, in \u001b[0;36m_tensor_py_operators.__mul__\u001b[0;34m(self, other)\u001b[0m\n\u001b[1;32m 129\u001b[0m \u001b[38;5;28;01mdef\u001b[39;00m \u001b[38;5;21m__mul__\u001b[39m(\u001b[38;5;28mself\u001b[39m, other):\n\u001b[1;32m 130\u001b[0m \u001b[38;5;66;03m# See explanation in __add__ for the error caught\u001b[39;00m\n\u001b[1;32m 131\u001b[0m \u001b[38;5;66;03m# and the return value in that case\u001b[39;00m\n\u001b[1;32m 132\u001b[0m \u001b[38;5;28;01mtry\u001b[39;00m:\n\u001b[0;32m--> 133\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mpt\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mmath\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mmul\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mother\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 134\u001b[0m \u001b[38;5;28;01mexcept\u001b[39;00m (\u001b[38;5;167;01mNotImplementedError\u001b[39;00m, \u001b[38;5;167;01mTypeError\u001b[39;00m):\n\u001b[1;32m 135\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[38;5;28mNotImplemented\u001b[39m\n", "File \u001b[0;32m~/.pyenv/versions/3.11.5/envs/bmca/lib/python3.11/site-packages/pytensor/graph/op.py:295\u001b[0m, in \u001b[0;36mOp.__call__\u001b[0;34m(self, *inputs, **kwargs)\u001b[0m\n\u001b[1;32m 253\u001b[0m \u001b[38;5;250m\u001b[39m\u001b[38;5;124mr\u001b[39m\u001b[38;5;124;03m\"\"\"Construct an `Apply` node using :meth:`Op.make_node` and return its outputs.\u001b[39;00m\n\u001b[1;32m 254\u001b[0m \n\u001b[1;32m 255\u001b[0m \u001b[38;5;124;03mThis method is just a wrapper around :meth:`Op.make_node`.\u001b[39;00m\n\u001b[0;32m (...)\u001b[0m\n\u001b[1;32m 292\u001b[0m \n\u001b[1;32m 293\u001b[0m \u001b[38;5;124;03m\"\"\"\u001b[39;00m\n\u001b[1;32m 294\u001b[0m return_list \u001b[38;5;241m=\u001b[39m kwargs\u001b[38;5;241m.\u001b[39mpop(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mreturn_list\u001b[39m\u001b[38;5;124m\"\u001b[39m, \u001b[38;5;28;01mFalse\u001b[39;00m)\n\u001b[0;32m--> 295\u001b[0m node \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mmake_node\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43minputs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 297\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m config\u001b[38;5;241m.\u001b[39mcompute_test_value \u001b[38;5;241m!=\u001b[39m \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124moff\u001b[39m\u001b[38;5;124m\"\u001b[39m:\n\u001b[1;32m 298\u001b[0m compute_test_value(node)\n", @@ -3181,7 +3810,7 @@ "source": [ "fcc = np.array([ll.flux_control_coefficient(Ex=ex) for ex in trace.posterior['Ex'][0].to_numpy()])\n", "fcc_mb = np.array([ll.flux_control_coefficient(Ex=ex) for ex in trace_vi.posterior['Ex'][0].to_numpy()])\n", - "fcc_prior = np.array([ll.flux_control_coefficient(Ex=ex) for ex in trace_prior.prior['Ex'][0].to_numpy()])" + "# fcc_prior = np.array([ll.flux_control_coefficient(Ex=ex) for ex in trace_prior.prior['Ex'][0].to_numpy()])" ] }, { diff --git a/src/emll/pymc_utils.py b/src/emll/pymc_utils.py index 8fa46a9..34e8888 100644 --- a/src/emll/pymc_utils.py +++ b/src/emll/pymc_utils.py @@ -52,9 +52,9 @@ def sample_prior_fccs(cobra_model): # Get stoichiometric matrix N = create_stoichiometric_matrix(cobra_model, dtype='int') - # Creaet linlog model + # Create linlog model ll = linlog_model.LinLogLeastNorm(N, Ex, Ey, v_star, driver='gelsy') fcc_prior = np.array([ll.flux_control_coefficient(Ex=ex) for ex in trace_prior.prior['Ex'][0].to_numpy()]) - return fcc_prior + return fcc_prior \ No newline at end of file diff --git a/tests/test_data/expected_wu2004_FCCpriors_updated.csv b/tests/test_data/expected_wu2004_FCCpriors_updated.csv new file mode 100644 index 0000000..6df4025 --- /dev/null +++ b/tests/test_data/expected_wu2004_FCCpriors_updated.csv @@ -0,0 +1,7 @@ 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diff --git a/tests/test_priorpredictive.py b/tests/test_priorpredictive.py index 6004227..47e7ba6 100644 --- a/tests/test_priorpredictive.py +++ b/tests/test_priorpredictive.py @@ -9,7 +9,7 @@ @pytest.fixture(scope="module") def wu2004_bmca_obj(): wu2004_paths = { - "model_path": "tests/test_models/wu2004_model.sbml", + "model_path": "tests/test_models/wu2004_model.json", "reference_state": None, } bmca_obj = emll.bmca.BMCA( @@ -19,7 +19,10 @@ def wu2004_bmca_obj(): return bmca_obj -# def test_elasticity_matrix(wu2004_bmca_obj): +# def test_build_unconditional_pymc_model(wu2004_bmca_obj): + +#def test_sample_prior_predictive(pymc_model) + def test_priorpredictive(wu2004_bmca_obj):