diff --git a/notebooks/copasi_process_composer.ipynb b/notebooks/copasi_process_composer.ipynb
index d8a1edec8..de4d9effe 100644
--- a/notebooks/copasi_process_composer.ipynb
+++ b/notebooks/copasi_process_composer.ipynb
@@ -15,11 +15,11 @@
"execution_count": 1,
"id": "b43cd4493a594e60",
"metadata": {
+ "collapsed": false,
"ExecuteTime": {
- "end_time": "2024-03-04T16:42:08.935312Z",
- "start_time": "2024-03-04T16:42:08.931881Z"
- },
- "collapsed": false
+ "end_time": "2024-03-04T17:15:40.864594Z",
+ "start_time": "2024-03-04T17:15:40.858286Z"
+ }
},
"outputs": [],
"source": [
@@ -30,15 +30,6 @@
},
{
"cell_type": "code",
- "execution_count": 2,
- "id": "65385e04f4f5dd1a",
- "metadata": {
- "ExecuteTime": {
- "end_time": "2024-03-04T16:42:10.809815Z",
- "start_time": "2024-03-04T16:42:09.047667Z"
- },
- "collapsed": false
- },
"outputs": [
{
"name": "stdout",
@@ -52,12 +43,20 @@
}
],
"source": [
- "from builder import Builder, Process\n",
+ "import os \n",
"from process_bigraph import pp, pf \n",
- "from biosimulator_processes import CORE\n",
"from biosimulator_processes.data_model import *\n",
"from biosimulator_processes.biosimulator_builder import BiosimulatorBuilder"
- ]
+ ],
+ "metadata": {
+ "collapsed": false,
+ "ExecuteTime": {
+ "end_time": "2024-03-04T17:15:43.439817Z",
+ "start_time": "2024-03-04T17:15:41.375489Z"
+ }
+ },
+ "id": "65385e04f4f5dd1a",
+ "execution_count": 2
},
{
"cell_type": "markdown",
@@ -74,11 +73,11 @@
"execution_count": 3,
"id": "cc709690e20090cf",
"metadata": {
+ "collapsed": false,
"ExecuteTime": {
- "end_time": "2024-03-04T16:42:10.810196Z",
- "start_time": "2024-03-04T16:42:10.808054Z"
- },
- "collapsed": false
+ "end_time": "2024-03-04T17:15:46.687418Z",
+ "start_time": "2024-03-04T17:15:46.682546Z"
+ }
},
"outputs": [],
"source": [
@@ -90,23 +89,16 @@
"execution_count": 4,
"id": "41034be54d9cf16",
"metadata": {
+ "collapsed": false,
"ExecuteTime": {
- "end_time": "2024-03-04T16:42:10.813366Z",
- "start_time": "2024-03-04T16:42:10.811517Z"
- },
- "collapsed": false
+ "end_time": "2024-03-04T17:15:46.959980Z",
+ "start_time": "2024-03-04T17:15:46.955838Z"
+ }
},
"outputs": [
{
"data": {
- "text/plain": [
- "['CobraProcess',\n",
- " 'CopasiProcess',\n",
- " 'console-emitter',\n",
- " 'SmoldynProcess',\n",
- " 'TelluriumProcess',\n",
- " 'ram-emitter']"
- ]
+ "text/plain": "['CopasiProcess',\n 'ram-emitter',\n 'console-emitter',\n 'CobraProcess',\n 'SmoldynProcess',\n 'TelluriumProcess']"
},
"execution_count": 4,
"metadata": {},
@@ -129,20 +121,6 @@
"Let's load a BIOMODEL from `basico` and inspect the parameters we can adjust:"
]
},
- {
- "cell_type": "code",
- "execution_count": 4,
- "id": "f1e5eedb251a22c3",
- "metadata": {
- "ExecuteTime": {
- "end_time": "2024-03-04T16:42:10.828221Z",
- "start_time": "2024-03-04T16:42:10.813820Z"
- },
- "collapsed": false
- },
- "outputs": [],
- "source": []
- },
{
"cell_type": "markdown",
"id": "eea00feb4c2651d6",
@@ -165,31 +143,13 @@
},
{
"cell_type": "code",
- "execution_count": 5,
+ "execution_count": null,
"id": "edf123175ec3408c",
"metadata": {
- "ExecuteTime": {
- "end_time": "2024-03-04T16:42:12.560995Z",
- "start_time": "2024-03-04T16:42:12.555910Z"
- },
"collapsed": false
},
- "outputs": [
- {
- "data": {
- "text/plain": [
- "True"
- ]
- },
- "execution_count": 5,
- "metadata": {},
- "output_type": "execute_result"
- }
- ],
+ "outputs": [],
"source": [
- "from basico import * \n",
- "\n",
- "\n",
"model_filepath = '../biosimulator_processes/model_files/BIOMD0000000061_url.xml'\n",
"\n",
"os.path.exists(model_filepath)"
@@ -197,652 +157,26 @@
},
{
"cell_type": "code",
- "execution_count": 6,
+ "execution_count": null,
"id": "40ab6f70ac3f4996",
"metadata": {
- "ExecuteTime": {
- "end_time": "2024-03-04T16:42:13.555997Z",
- "start_time": "2024-03-04T16:42:13.490510Z"
- },
"collapsed": false
},
- "outputs": [
- {
- "data": {
- "text/html": [
- "
\n",
- "\n",
- "
\n",
- " \n",
- " \n",
- " | \n",
- " compartment | \n",
- " type | \n",
- " unit | \n",
- " initial_concentration | \n",
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- " expression | \n",
- " concentration | \n",
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- " rate | \n",
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\n",
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\n",
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- " mmol/l | \n",
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- " 4.034834e+21 | \n",
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- " GlcX | \n",
- "
\n",
- " \n",
- " Cytosolic glucose | \n",
- " cytosol | \n",
- " reactions | \n",
- " mmol/l | \n",
- " 0.573074 | \n",
- " 3.451132e+20 | \n",
- " | \n",
- " | \n",
- " 0.573074 | \n",
- " 3.451132e+20 | \n",
- " 6.820866e+01 | \n",
- " 4.107622e+22 | \n",
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- " Glc | \n",
- "
\n",
- " \n",
- " ATP | \n",
- " cytosol | \n",
- " reactions | \n",
- " mmol/l | \n",
- " 2.100000 | \n",
- " 1.264650e+21 | \n",
- " | \n",
- " | \n",
- " 2.100000 | \n",
- " 1.264650e+21 | \n",
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- "
\n",
- " \n",
- " Glucose-6-Phosphate | \n",
- " cytosol | \n",
- " reactions | \n",
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- " 4.200000 | \n",
- " 2.529299e+21 | \n",
- " | \n",
- " | \n",
- " 4.200000 | \n",
- " 2.529299e+21 | \n",
- " 2.292073e-05 | \n",
- " 1.380319e+16 | \n",
- " Metabolite_3 | \n",
- " G6P | \n",
- "
\n",
- " \n",
- " ADP | \n",
- " cytosol | \n",
- " reactions | \n",
- " mmol/l | \n",
- " 1.500000 | \n",
- " 9.033211e+20 | \n",
- " | \n",
- " | \n",
- " 1.500000 | \n",
- " 9.033211e+20 | \n",
- " 9.874740e-04 | \n",
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- " Metabolite_4 | \n",
- " ADP | \n",
- "
\n",
- " \n",
- " Fructose-6-Phosphate | \n",
- " cytosol | \n",
- " reactions | \n",
- " mmol/l | \n",
- " 0.490000 | \n",
- " 2.950849e+20 | \n",
- " | \n",
- " | \n",
- " 0.490000 | \n",
- " 2.950849e+20 | \n",
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- " Metabolite_5 | \n",
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- "
\n",
- " \n",
- " Fructose 1,6-bisphosphate | \n",
- " cytosol | \n",
- " reactions | \n",
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- " 2.794273e+21 | \n",
- " | \n",
- " | \n",
- " 4.640000 | \n",
- " 2.794273e+21 | \n",
- " 3.000184e-05 | \n",
- " 1.806753e+16 | \n",
- " Metabolite_6 | \n",
- " FBP | \n",
- "
\n",
- " \n",
- " Glyceraldehyde 3-phosphate | \n",
- " cytosol | \n",
- " reactions | \n",
- " mmol/l | \n",
- " 0.115000 | \n",
- " 6.925462e+19 | \n",
- " | \n",
- " | \n",
- " 0.115000 | \n",
- " 6.925462e+19 | \n",
- " -1.056219e-04 | \n",
- " -6.360699e+16 | \n",
- " Metabolite_7 | \n",
- " GAP | \n",
- "
\n",
- " \n",
- " Dihydroxyacetone phosphate | \n",
- " cytosol | \n",
- " reactions | \n",
- " mmol/l | \n",
- " 2.950000 | \n",
- " 1.776532e+21 | \n",
- " | \n",
- " | \n",
- " 2.950000 | \n",
- " 1.776532e+21 | \n",
- " 8.613930e-05 | \n",
- " 5.187430e+16 | \n",
- " Metabolite_8 | \n",
- " DHAP | \n",
- "
\n",
- " \n",
- " NAD | \n",
- " cytosol | \n",
- " reactions | \n",
- " mmol/l | \n",
- " 0.650000 | \n",
- " 3.914391e+20 | \n",
- " | \n",
- " | \n",
- " 0.650000 | \n",
- " 3.914391e+20 | \n",
- " -5.799246e-05 | \n",
- " -3.492388e+16 | \n",
- " Metabolite_9 | \n",
- " NAD | \n",
- "
\n",
- " \n",
- " 1,3-Bisphosphoglycerate | \n",
- " cytosol | \n",
- " reactions | \n",
- " mmol/l | \n",
- " 0.000270 | \n",
- " 1.625978e+17 | \n",
- " | \n",
- " | \n",
- " 0.000270 | \n",
- " 1.625978e+17 | \n",
- " 5.878219e-05 | \n",
- " 3.539946e+16 | \n",
- " Metabolite_10 | \n",
- " BPG | \n",
- "
\n",
- " \n",
- " NADH | \n",
- " cytosol | \n",
- " reactions | \n",
- " mmol/l | \n",
- " 0.330000 | \n",
- " 1.987306e+20 | \n",
- " | \n",
- " | \n",
- " 0.330000 | \n",
- " 1.987306e+20 | \n",
- " 5.799246e-05 | \n",
- " 3.492388e+16 | \n",
- " Metabolite_11 | \n",
- " NADH | \n",
- "
\n",
- " \n",
- " Phosphoenolpyruvate | \n",
- " cytosol | \n",
- " reactions | \n",
- " mmol/l | \n",
- " 0.040000 | \n",
- " 2.408856e+19 | \n",
- " | \n",
- " | \n",
- " 0.040000 | \n",
- " 2.408856e+19 | \n",
- " -2.664671e-05 | \n",
- " -1.604702e+16 | \n",
- " Metabolite_12 | \n",
- " PEP | \n",
- "
\n",
- " \n",
- " Pyruvate | \n",
- " cytosol | \n",
- " reactions | \n",
- " mmol/l | \n",
- " 8.700000 | \n",
- " 5.239262e+21 | \n",
- " | \n",
- " | \n",
- " 8.700000 | \n",
- " 5.239262e+21 | \n",
- " -3.001996e-05 | \n",
- " -1.807844e+16 | \n",
- " Metabolite_13 | \n",
- " Pyr | \n",
- "
\n",
- " \n",
- " Acetaldehyde | \n",
- " cytosol | \n",
- " reactions | \n",
- " mmol/l | \n",
- " 1.481530 | \n",
- " 8.921982e+20 | \n",
- " | \n",
- " | \n",
- " 1.481530 | \n",
- " 8.921982e+20 | \n",
- " 5.754463e-05 | \n",
- " 3.465418e+16 | \n",
- " Metabolite_14 | \n",
- " ACA | \n",
- "
\n",
- " \n",
- " EtOH | \n",
- " cytosol | \n",
- " reactions | \n",
- " mmol/l | \n",
- " 19.237900 | \n",
- " 1.158533e+22 | \n",
- " | \n",
- " | \n",
- " 19.237900 | \n",
- " 1.158533e+22 | \n",
- " 7.012204e-05 | \n",
- " 4.222848e+16 | \n",
- " Metabolite_15 | \n",
- " EtOH | \n",
- "
\n",
- " \n",
- " Extracellular ethanol | \n",
- " extracellular | \n",
- " reactions | \n",
- " mmol/l | \n",
- " 16.451400 | \n",
- " 9.907265e+21 | \n",
- " | \n",
- " | \n",
- " 16.451400 | \n",
- " 9.907265e+21 | \n",
- " -1.437288e-06 | \n",
- " -8.655551e+14 | \n",
- " Metabolite_16 | \n",
- " EtOHX | \n",
- "
\n",
- " \n",
- " Glycerol | \n",
- " cytosol | \n",
- " reactions | \n",
- " mmol/l | \n",
- " 4.196000 | \n",
- " 2.526890e+21 | \n",
- " | \n",
- " | \n",
- " 4.196000 | \n",
- " 2.526890e+21 | \n",
- " -1.733231e-05 | \n",
- " -1.043776e+16 | \n",
- " Metabolite_17 | \n",
- " Glyc | \n",
- "
\n",
- " \n",
- " Extracellular glycerol | \n",
- " extracellular | \n",
- " reactions | \n",
- " mmol/l | \n",
- " 1.684780 | \n",
- " 1.014598e+21 | \n",
- " | \n",
- " | \n",
- " 1.684780 | \n",
- " 1.014598e+21 | \n",
- " 3.566102e-07 | \n",
- " 2.147557e+14 | \n",
- " Metabolite_18 | \n",
- " GlycX | \n",
- "
\n",
- " \n",
- " Extracellular acetaldehyde | \n",
- " extracellular | \n",
- " reactions | \n",
- " mmol/l | \n",
- " 1.288360 | \n",
- " 7.758685e+20 | \n",
- " | \n",
- " | \n",
- " 1.288360 | \n",
- " 7.758685e+20 | \n",
- " 1.261075e-07 | \n",
- " 7.594373e+13 | \n",
- " Metabolite_19 | \n",
- " ACAX | \n",
- "
\n",
- " \n",
- " Extracellular cyanide | \n",
- " extracellular | \n",
- " reactions | \n",
- " mmol/l | \n",
- " 5.203580 | \n",
- " 3.133669e+21 | \n",
- " | \n",
- " | \n",
- " 5.203580 | \n",
- " 3.133669e+21 | \n",
- " 9.153125e-08 | \n",
- " 5.512141e+13 | \n",
- " Metabolite_20 | \n",
- " CNX | \n",
- "
\n",
- " \n",
- " AMP | \n",
- " cytosol | \n",
- " reactions | \n",
- " mmol/l | \n",
- " 0.330000 | \n",
- " 1.987306e+20 | \n",
- " | \n",
- " | \n",
- " 0.330000 | \n",
- " 1.987306e+20 | \n",
- " -4.500000e-04 | \n",
- " -2.709963e+17 | \n",
- " Metabolite_21 | \n",
- " AMP | \n",
- "
\n",
- " \n",
- " P | \n",
- " extracellular | \n",
- " fixed | \n",
- " mmol/l | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " | \n",
- " | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " 0.000000e+00 | \n",
- " 0.000000e+00 | \n",
- " Metabolite_22 | \n",
- " P | \n",
- "
\n",
- " \n",
- " Mixed flow cyanide | \n",
- " extracellular | \n",
- " fixed | \n",
- " mmol/l | \n",
- " 5.600000 | \n",
- " 3.372399e+21 | \n",
- " | \n",
- " | \n",
- " 5.600000 | \n",
- " 3.372399e+21 | \n",
- " 0.000000e+00 | \n",
- " 0.000000e+00 | \n",
- " Metabolite_23 | \n",
- " CNX0 | \n",
- "
\n",
- " \n",
- " Mixed flow glucose | \n",
- " extracellular | \n",
- " fixed | \n",
- " mmol/l | \n",
- " 24.000000 | \n",
- " 1.445314e+22 | \n",
- " | \n",
- " | \n",
- " 24.000000 | \n",
- " 1.445314e+22 | \n",
- " 0.000000e+00 | \n",
- " 0.000000e+00 | \n",
- " Metabolite_24 | \n",
- " GlcX0 | \n",
- "
\n",
- " \n",
- "
\n",
- "
"
- ],
- "text/plain": [
- " compartment type unit \\\n",
- "name \n",
- "Extracellular glucose extracellular reactions mmol/l \n",
- "Cytosolic glucose cytosol reactions mmol/l \n",
- "ATP cytosol reactions mmol/l \n",
- "Glucose-6-Phosphate cytosol reactions mmol/l \n",
- "ADP cytosol reactions mmol/l \n",
- "Fructose-6-Phosphate cytosol reactions mmol/l \n",
- "Fructose 1,6-bisphosphate cytosol reactions mmol/l \n",
- "Glyceraldehyde 3-phosphate cytosol reactions mmol/l \n",
- "Dihydroxyacetone phosphate cytosol reactions mmol/l \n",
- "NAD cytosol reactions mmol/l \n",
- "1,3-Bisphosphoglycerate cytosol reactions mmol/l \n",
- "NADH cytosol reactions mmol/l \n",
- "Phosphoenolpyruvate cytosol reactions mmol/l \n",
- "Pyruvate cytosol reactions mmol/l \n",
- "Acetaldehyde cytosol reactions mmol/l \n",
- "EtOH cytosol reactions mmol/l \n",
- "Extracellular ethanol extracellular reactions mmol/l \n",
- "Glycerol cytosol reactions mmol/l \n",
- "Extracellular glycerol extracellular reactions mmol/l \n",
- "Extracellular acetaldehyde extracellular reactions mmol/l \n",
- "Extracellular cyanide extracellular reactions mmol/l \n",
- "AMP cytosol reactions mmol/l \n",
- "P extracellular fixed mmol/l \n",
- "Mixed flow cyanide extracellular fixed mmol/l \n",
- "Mixed flow glucose extracellular fixed mmol/l \n",
- "\n",
- " initial_concentration initial_particle_number \\\n",
- "name \n",
- "Extracellular glucose 6.700000 4.034834e+21 \n",
- "Cytosolic glucose 0.573074 3.451132e+20 \n",
- "ATP 2.100000 1.264650e+21 \n",
- "Glucose-6-Phosphate 4.200000 2.529299e+21 \n",
- "ADP 1.500000 9.033211e+20 \n",
- "Fructose-6-Phosphate 0.490000 2.950849e+20 \n",
- "Fructose 1,6-bisphosphate 4.640000 2.794273e+21 \n",
- "Glyceraldehyde 3-phosphate 0.115000 6.925462e+19 \n",
- "Dihydroxyacetone phosphate 2.950000 1.776532e+21 \n",
- "NAD 0.650000 3.914391e+20 \n",
- "1,3-Bisphosphoglycerate 0.000270 1.625978e+17 \n",
- "NADH 0.330000 1.987306e+20 \n",
- "Phosphoenolpyruvate 0.040000 2.408856e+19 \n",
- "Pyruvate 8.700000 5.239262e+21 \n",
- "Acetaldehyde 1.481530 8.921982e+20 \n",
- "EtOH 19.237900 1.158533e+22 \n",
- "Extracellular ethanol 16.451400 9.907265e+21 \n",
- "Glycerol 4.196000 2.526890e+21 \n",
- "Extracellular glycerol 1.684780 1.014598e+21 \n",
- "Extracellular acetaldehyde 1.288360 7.758685e+20 \n",
- "Extracellular cyanide 5.203580 3.133669e+21 \n",
- "AMP 0.330000 1.987306e+20 \n",
- "P 0.000000 0.000000e+00 \n",
- "Mixed flow cyanide 5.600000 3.372399e+21 \n",
- "Mixed flow glucose 24.000000 1.445314e+22 \n",
- "\n",
- " initial_expression expression concentration \\\n",
- "name \n",
- "Extracellular glucose 6.700000 \n",
- "Cytosolic glucose 0.573074 \n",
- "ATP 2.100000 \n",
- "Glucose-6-Phosphate 4.200000 \n",
- "ADP 1.500000 \n",
- "Fructose-6-Phosphate 0.490000 \n",
- "Fructose 1,6-bisphosphate 4.640000 \n",
- "Glyceraldehyde 3-phosphate 0.115000 \n",
- "Dihydroxyacetone phosphate 2.950000 \n",
- "NAD 0.650000 \n",
- "1,3-Bisphosphoglycerate 0.000270 \n",
- "NADH 0.330000 \n",
- "Phosphoenolpyruvate 0.040000 \n",
- "Pyruvate 8.700000 \n",
- "Acetaldehyde 1.481530 \n",
- "EtOH 19.237900 \n",
- "Extracellular ethanol 16.451400 \n",
- "Glycerol 4.196000 \n",
- "Extracellular glycerol 1.684780 \n",
- "Extracellular acetaldehyde 1.288360 \n",
- "Extracellular cyanide 5.203580 \n",
- "AMP 0.330000 \n",
- "P 0.000000 \n",
- "Mixed flow cyanide 5.600000 \n",
- "Mixed flow glucose 24.000000 \n",
- "\n",
- " particle_number rate \\\n",
- "name \n",
- "Extracellular glucose 4.034834e+21 -1.139132e+00 \n",
- "Cytosolic glucose 3.451132e+20 6.820866e+01 \n",
- "ATP 1.264650e+21 -5.374740e-04 \n",
- "Glucose-6-Phosphate 2.529299e+21 2.292073e-05 \n",
- "ADP 9.033211e+20 9.874740e-04 \n",
- "Fructose-6-Phosphate 2.950849e+20 -2.357096e-05 \n",
- "Fructose 1,6-bisphosphate 2.794273e+21 3.000184e-05 \n",
- "Glyceraldehyde 3-phosphate 6.925462e+19 -1.056219e-04 \n",
- "Dihydroxyacetone phosphate 1.776532e+21 8.613930e-05 \n",
- "NAD 3.914391e+20 -5.799246e-05 \n",
- "1,3-Bisphosphoglycerate 1.625978e+17 5.878219e-05 \n",
- "NADH 1.987306e+20 5.799246e-05 \n",
- "Phosphoenolpyruvate 2.408856e+19 -2.664671e-05 \n",
- "Pyruvate 5.239262e+21 -3.001996e-05 \n",
- "Acetaldehyde 8.921982e+20 5.754463e-05 \n",
- "EtOH 1.158533e+22 7.012204e-05 \n",
- "Extracellular ethanol 9.907265e+21 -1.437288e-06 \n",
- "Glycerol 2.526890e+21 -1.733231e-05 \n",
- "Extracellular glycerol 1.014598e+21 3.566102e-07 \n",
- "Extracellular acetaldehyde 7.758685e+20 1.261075e-07 \n",
- "Extracellular cyanide 3.133669e+21 9.153125e-08 \n",
- "AMP 1.987306e+20 -4.500000e-04 \n",
- "P 0.000000e+00 0.000000e+00 \n",
- "Mixed flow cyanide 3.372399e+21 0.000000e+00 \n",
- "Mixed flow glucose 1.445314e+22 0.000000e+00 \n",
- "\n",
- " particle_number_rate key sbml_id \n",
- "name \n",
- "Extracellular glucose -6.860013e+20 Metabolite_0 GlcX \n",
- "Cytosolic glucose 4.107622e+22 Metabolite_1 Glc \n",
- "ATP -3.236744e+17 Metabolite_2 ATP \n",
- "Glucose-6-Phosphate 1.380319e+16 Metabolite_3 G6P \n",
- "ADP 5.946708e+17 Metabolite_4 ADP \n",
- "Fructose-6-Phosphate -1.419477e+16 Metabolite_5 F6P \n",
- "Fructose 1,6-bisphosphate 1.806753e+16 Metabolite_6 FBP \n",
- "Glyceraldehyde 3-phosphate -6.360699e+16 Metabolite_7 GAP \n",
- "Dihydroxyacetone phosphate 5.187430e+16 Metabolite_8 DHAP \n",
- "NAD -3.492388e+16 Metabolite_9 NAD \n",
- "1,3-Bisphosphoglycerate 3.539946e+16 Metabolite_10 BPG \n",
- "NADH 3.492388e+16 Metabolite_11 NADH \n",
- "Phosphoenolpyruvate -1.604702e+16 Metabolite_12 PEP \n",
- "Pyruvate -1.807844e+16 Metabolite_13 Pyr \n",
- "Acetaldehyde 3.465418e+16 Metabolite_14 ACA \n",
- "EtOH 4.222848e+16 Metabolite_15 EtOH \n",
- "Extracellular ethanol -8.655551e+14 Metabolite_16 EtOHX \n",
- "Glycerol -1.043776e+16 Metabolite_17 Glyc \n",
- "Extracellular glycerol 2.147557e+14 Metabolite_18 GlycX \n",
- "Extracellular acetaldehyde 7.594373e+13 Metabolite_19 ACAX \n",
- "Extracellular cyanide 5.512141e+13 Metabolite_20 CNX \n",
- "AMP -2.709963e+17 Metabolite_21 AMP \n",
- "P 0.000000e+00 Metabolite_22 P \n",
- "Mixed flow cyanide 0.000000e+00 Metabolite_23 CNX0 \n",
- "Mixed flow glucose 0.000000e+00 Metabolite_24 GlcX0 "
- ]
- },
- "execution_count": 6,
- "metadata": {},
- "output_type": "execute_result"
- }
- ],
+ "outputs": [],
"source": [
- "model_from_file = load_model(model_filepath)\n",
- "get_species(model=model_from_file)"
+ "# Uncomment if you wish to inspect the species referenced below\n",
+ "# model_from_file = load_model(model_filepath)\n",
+ "# get_species(model=model_from_file)"
]
},
{
"cell_type": "code",
- "execution_count": 7,
+ "execution_count": null,
"id": "d02a547b85138f96",
"metadata": {
- "ExecuteTime": {
- "end_time": "2024-03-04T16:42:14.251034Z",
- "start_time": "2024-03-04T16:42:14.219527Z"
- },
"collapsed": false
},
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "{ 'global_parameter_changes': [],\n",
- " 'reaction_changes': [],\n",
- " 'species_changes': [ { 'expression': '',\n",
- " 'initial_concentration': 9.261000000000001,\n",
- " 'initial_expression': '',\n",
- " 'initial_particle_number': None,\n",
- " 'name': 'ADP',\n",
- " 'unit': ''}]}\n"
- ]
- }
- ],
+ "outputs": [],
"source": [
"# 1. specify model changes\n",
"process_model_changes = ModelChanges(\n",
@@ -855,36 +189,12 @@
},
{
"cell_type": "code",
- "execution_count": 8,
+ "execution_count": null,
"id": "1b6c269646357d7d",
"metadata": {
- "ExecuteTime": {
- "end_time": "2024-03-04T16:42:14.814108Z",
- "start_time": "2024-03-04T16:42:14.810827Z"
- },
"collapsed": false
},
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "{ 'model_changes': { 'global_parameter_changes': [],\n",
- " 'reaction_changes': [],\n",
- " 'species_changes': [ { 'expression': '',\n",
- " 'initial_concentration': 9.261000000000001,\n",
- " 'initial_expression': '',\n",
- " 'initial_particle_number': None,\n",
- " 'name': 'ADP',\n",
- " 'unit': ''}]},\n",
- " 'model_id': 'copasi_process_from_file',\n",
- " 'model_language': 'sbml',\n",
- " 'model_name': 'Simple Composite Process from File',\n",
- " 'model_source': { 'value': '../biosimulator_processes/model_files/BIOMD0000000061_url.xml'},\n",
- " 'model_units': None}\n"
- ]
- }
- ],
+ "outputs": [],
"source": [
"# 2. define the model schema to be used by the composite process (one of the copasiprocess config parameters)\n",
"\n",
@@ -901,38 +211,12 @@
},
{
"cell_type": "code",
- "execution_count": 9,
+ "execution_count": null,
"id": "5d434956e65b1a42",
"metadata": {
- "ExecuteTime": {
- "end_time": "2024-03-04T16:42:15.337152Z",
- "start_time": "2024-03-04T16:42:15.334361Z"
- },
"collapsed": false
},
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "{ 'method': 'stochastic',\n",
- " 'model': { 'model_changes': { 'global_parameter_changes': [],\n",
- " 'reaction_changes': [],\n",
- " 'species_changes': [ { 'expression': '',\n",
- " 'initial_concentration': 9.261000000000001,\n",
- " 'initial_expression': '',\n",
- " 'initial_particle_number': None,\n",
- " 'name': 'ADP',\n",
- " 'unit': ''}]},\n",
- " 'model_id': 'copasi_process_from_file',\n",
- " 'model_language': 'sbml',\n",
- " 'model_name': 'Simple Composite Process from File',\n",
- " 'model_source': { 'value': '../biosimulator_processes/model_files/BIOMD0000000061_url.xml'},\n",
- " 'model_units': None},\n",
- " 'process_name': 'simple_copasi_from_file'}\n"
- ]
- }
- ],
+ "outputs": [],
"source": [
"# 3. Define config schema to be used as 'config' parameter of Process constructor\n",
"process_config_from_file = CopasiProcessConfigSchema(\n",
@@ -947,52 +231,21 @@
},
{
"cell_type": "code",
- "execution_count": 10,
+ "execution_count": null,
"id": "de88e95d8f616779",
"metadata": {
- "ExecuteTime": {
- "end_time": "2024-03-04T16:42:16.043432Z",
- "start_time": "2024-03-04T16:42:16.040674Z"
- },
"collapsed": false
},
- "outputs": [
- {
- "data": {
- "text/plain": [
- "{'model_id': 'copasi_process_from_file',\n",
- " 'model_source': {'value': '../biosimulator_processes/model_files/BIOMD0000000061_url.xml'},\n",
- " 'model_language': 'sbml',\n",
- " 'model_name': 'Simple Composite Process from File',\n",
- " 'model_changes': {'species_changes': [{'name': 'ADP',\n",
- " 'unit': '',\n",
- " 'initial_concentration': 9.261000000000001,\n",
- " 'initial_particle_number': None,\n",
- " 'initial_expression': '',\n",
- " 'expression': ''}],\n",
- " 'global_parameter_changes': [],\n",
- " 'reaction_changes': []},\n",
- " 'model_units': None}"
- ]
- },
- "execution_count": 10,
- "metadata": {},
- "output_type": "execute_result"
- }
- ],
+ "outputs": [],
"source": [
"process_config_from_file.model"
]
},
{
"cell_type": "code",
- "execution_count": 11,
+ "execution_count": null,
"id": "52d81ea2ea688d47",
"metadata": {
- "ExecuteTime": {
- "end_time": "2024-03-04T16:42:16.698339Z",
- "start_time": "2024-03-04T16:42:16.522040Z"
- },
"collapsed": false
},
"outputs": [],
@@ -1009,1188 +262,52 @@
},
{
"cell_type": "markdown",
- "id": "bfd4af678329923a",
+ "source": [
+ "Let's now add a biomodel with adjusted params (we know ahead of time)"
+ ],
"metadata": {
"collapsed": false
},
- "source": [
- "Let's load a BIOMODEL from `basico` and inspect the parameters we can adjust, and then add it to the composite process:"
- ]
+ "id": "80fd1a5aca61b442"
},
{
"cell_type": "code",
- "execution_count": 12,
+ "execution_count": null,
"id": "f499f96a817d9faf",
"metadata": {
- "ExecuteTime": {
- "end_time": "2024-03-04T16:42:28.725829Z",
- "start_time": "2024-03-04T16:42:26.443059Z"
- },
"collapsed": false
},
- "outputs": [
- {
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- "
\n",
- " \n",
- " SOCS3nRNA4 | \n",
- " nuc | \n",
- " reactions | \n",
- " nmol/l | \n",
- " 0.000000e+00 | \n",
- " 0.000000e+00 | \n",
- " | \n",
- " | \n",
- " 0.000000e+00 | \n",
- " 0.000000e+00 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Metabolite_71 | \n",
- " SOCS3nRNA4 | \n",
- "
\n",
- " \n",
- " SOCS3nRNA5 | \n",
- " nuc | \n",
- " reactions | \n",
- " nmol/l | \n",
- " 0.000000e+00 | \n",
- " 0.000000e+00 | \n",
- " | \n",
- " | \n",
- " 0.000000e+00 | \n",
- " 0.000000e+00 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Metabolite_72 | \n",
- " SOCS3nRNA5 | \n",
- "
\n",
- " \n",
- " SOCS3RNA | \n",
- " cyt | \n",
- " reactions | \n",
- " nmol/l | \n",
- " 0.000000e+00 | \n",
- " 0.000000e+00 | \n",
- " | \n",
- " | \n",
- " 0.000000e+00 | \n",
- " 0.000000e+00 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Metabolite_73 | \n",
- " SOCS3RNA | \n",
- "
\n",
- " \n",
- " SOCS3 | \n",
- " cyt | \n",
- " reactions | \n",
- " nmol/l | \n",
- " 0.000000e+00 | \n",
- " 0.000000e+00 | \n",
- " | \n",
- " | \n",
- " 0.000000e+00 | \n",
- " 0.000000e+00 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Metabolite_74 | \n",
- " SOCS3 | \n",
- "
\n",
- " \n",
- " Epo | \n",
- " cyt | \n",
- " reactions | \n",
- " nmol/l | \n",
- " 1.249970e-07 | \n",
- " 3.010998e+07 | \n",
- " | \n",
- " | \n",
- " 1.249970e-07 | \n",
- " 3.010998e+07 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Metabolite_75 | \n",
- " Epo | \n",
- "
\n",
- " \n",
- "
\n",
- "
"
- ],
- "text/plain": [
- " compartment type unit initial_concentration \\\n",
- "name \n",
- "EpoRJAK2 cyt reactions nmol/l 3.976220e+00 \n",
- "EpoRpJAK2 cyt reactions nmol/l 0.000000e+00 \n",
- "p1EpoRpJAK2 cyt reactions nmol/l 0.000000e+00 \n",
- "p2EpoRpJAK2 cyt reactions nmol/l 0.000000e+00 \n",
- "p12EpoRpJAK2 cyt reactions nmol/l 0.000000e+00 \n",
- "EpoRJAK2_CIS cyt reactions nmol/l 0.000000e+00 \n",
- "SHP1 cyt reactions nmol/l 2.672510e+01 \n",
- "SHP1Act cyt reactions nmol/l 0.000000e+00 \n",
- "STAT5 cyt reactions nmol/l 7.975350e+01 \n",
- "pSTAT5 cyt reactions nmol/l 0.000000e+00 \n",
- "npSTAT5 nuc reactions nmol/l 0.000000e+00 \n",
- "CISnRNA1 nuc reactions nmol/l 0.000000e+00 \n",
- "CISnRNA2 nuc reactions nmol/l 0.000000e+00 \n",
- "CISnRNA3 nuc reactions nmol/l 0.000000e+00 \n",
- "CISnRNA4 nuc reactions nmol/l 0.000000e+00 \n",
- "CISnRNA5 nuc reactions nmol/l 0.000000e+00 \n",
- "CISRNA cyt reactions nmol/l 0.000000e+00 \n",
- "CIS cyt reactions nmol/l 0.000000e+00 \n",
- "SOCS3nRNA1 nuc reactions nmol/l 0.000000e+00 \n",
- "SOCS3nRNA2 nuc reactions nmol/l 0.000000e+00 \n",
- "SOCS3nRNA3 nuc reactions nmol/l 0.000000e+00 \n",
- "SOCS3nRNA4 nuc reactions nmol/l 0.000000e+00 \n",
- "SOCS3nRNA5 nuc reactions nmol/l 0.000000e+00 \n",
- "SOCS3RNA cyt reactions nmol/l 0.000000e+00 \n",
- "SOCS3 cyt reactions nmol/l 0.000000e+00 \n",
- "Epo cyt reactions nmol/l 1.249970e-07 \n",
- "\n",
- " initial_particle_number initial_expression expression \\\n",
- "name \n",
- "EpoRJAK2 9.578143e+14 \n",
- "EpoRpJAK2 0.000000e+00 \n",
- "p1EpoRpJAK2 0.000000e+00 \n",
- "p2EpoRpJAK2 0.000000e+00 \n",
- "p12EpoRpJAK2 0.000000e+00 \n",
- "EpoRJAK2_CIS 0.000000e+00 \n",
- "SHP1 6.437693e+15 \n",
- "SHP1Act 0.000000e+00 \n",
- "STAT5 1.921147e+16 \n",
- "pSTAT5 0.000000e+00 \n",
- "npSTAT5 0.000000e+00 \n",
- "CISnRNA1 0.000000e+00 \n",
- "CISnRNA2 0.000000e+00 \n",
- "CISnRNA3 0.000000e+00 \n",
- "CISnRNA4 0.000000e+00 \n",
- "CISnRNA5 0.000000e+00 \n",
- "CISRNA 0.000000e+00 \n",
- "CIS 0.000000e+00 \n",
- "SOCS3nRNA1 0.000000e+00 \n",
- "SOCS3nRNA2 0.000000e+00 \n",
- "SOCS3nRNA3 0.000000e+00 \n",
- "SOCS3nRNA4 0.000000e+00 \n",
- "SOCS3nRNA5 0.000000e+00 \n",
- "SOCS3RNA 0.000000e+00 \n",
- "SOCS3 0.000000e+00 \n",
- "Epo 3.010998e+07 \n",
- "\n",
- " concentration particle_number rate particle_number_rate \\\n",
- "name \n",
- "EpoRJAK2 3.976220e+00 9.578143e+14 -0.314737 -7.581552e+13 \n",
- "EpoRpJAK2 0.000000e+00 0.000000e+00 0.314737 7.581552e+13 \n",
- "p1EpoRpJAK2 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "p2EpoRpJAK2 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "p12EpoRpJAK2 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "EpoRJAK2_CIS 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "SHP1 2.672510e+01 6.437693e+15 0.000000 0.000000e+00 \n",
- "SHP1Act 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "STAT5 7.975350e+01 1.921147e+16 0.000000 0.000000e+00 \n",
- "pSTAT5 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "npSTAT5 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "CISnRNA1 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "CISnRNA2 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "CISnRNA3 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "CISnRNA4 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "CISnRNA5 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "CISRNA 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "CIS 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "SOCS3nRNA1 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "SOCS3nRNA2 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "SOCS3nRNA3 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "SOCS3nRNA4 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "SOCS3nRNA5 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "SOCS3RNA 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "SOCS3 0.000000e+00 0.000000e+00 0.000000 0.000000e+00 \n",
- "Epo 1.249970e-07 3.010998e+07 0.000000 0.000000e+00 \n",
- "\n",
- " key sbml_id \n",
- "name \n",
- "EpoRJAK2 Metabolite_50 EpoRJAK2 \n",
- "EpoRpJAK2 Metabolite_51 EpoRpJAK2 \n",
- "p1EpoRpJAK2 Metabolite_52 p1EpoRpJAK2 \n",
- "p2EpoRpJAK2 Metabolite_53 p2EpoRpJAK2 \n",
- "p12EpoRpJAK2 Metabolite_54 p12EpoRpJAK2 \n",
- "EpoRJAK2_CIS Metabolite_55 EpoRJAK2_CIS \n",
- "SHP1 Metabolite_56 SHP1 \n",
- "SHP1Act Metabolite_57 SHP1Act \n",
- "STAT5 Metabolite_58 STAT5 \n",
- "pSTAT5 Metabolite_59 pSTAT5 \n",
- "npSTAT5 Metabolite_60 npSTAT5 \n",
- "CISnRNA1 Metabolite_61 CISnRNA1 \n",
- "CISnRNA2 Metabolite_62 CISnRNA2 \n",
- "CISnRNA3 Metabolite_63 CISnRNA3 \n",
- "CISnRNA4 Metabolite_64 CISnRNA4 \n",
- "CISnRNA5 Metabolite_65 CISnRNA5 \n",
- "CISRNA Metabolite_66 CISRNA \n",
- "CIS Metabolite_67 CIS \n",
- "SOCS3nRNA1 Metabolite_68 SOCS3nRNA1 \n",
- "SOCS3nRNA2 Metabolite_69 SOCS3nRNA2 \n",
- "SOCS3nRNA3 Metabolite_70 SOCS3nRNA3 \n",
- "SOCS3nRNA4 Metabolite_71 SOCS3nRNA4 \n",
- "SOCS3nRNA5 Metabolite_72 SOCS3nRNA5 \n",
- "SOCS3RNA Metabolite_73 SOCS3RNA \n",
- "SOCS3 Metabolite_74 SOCS3 \n",
- "Epo Metabolite_75 Epo "
- ]
- },
- "execution_count": 12,
- "metadata": {},
- "output_type": "execute_result"
- }
- ],
+ "outputs": [],
"source": [
- "from basico import *\n",
- "from basico import biomodels\n",
- "\n",
- "\n",
- "biomodel_id = 'BIOMD0000000861'\n",
- "biomodel = load_biomodel(biomodel_id)\n",
- "get_species(model=biomodel)"
+ "# Uncomment if you wish to introspect the model referred below\n",
+ "# from basico import *\n",
+ "# from basico import biomodels\n",
+ "# \n",
+ "# \n",
+ "# biomodel_id = 'BIOMD0000000861'\n",
+ "# biomodel = load_biomodel(biomodel_id)\n",
+ "# get_species(model=biomodel)"
]
},
{
"cell_type": "code",
- "execution_count": 13,
+ "execution_count": null,
"id": "c24594c6e8229e20",
"metadata": {
- "ExecuteTime": {
- "end_time": "2024-03-04T16:42:28.737875Z",
- "start_time": "2024-03-04T16:42:28.733747Z"
- },
"collapsed": false
},
- "outputs": [
- {
- "data": {
- "text/html": [
- "\n",
- "\n",
- "
\n",
- " \n",
- " \n",
- " | \n",
- " scheme | \n",
- " flux | \n",
- " particle_flux | \n",
- " function | \n",
- " key | \n",
- " sbml_id | \n",
- " mapping | \n",
- "
\n",
- " \n",
- " name | \n",
- " | \n",
- " | \n",
- " | \n",
- " | \n",
- " | \n",
- " | \n",
- " | \n",
- "
\n",
- " \n",
- " \n",
- " \n",
- " reaction_1 | \n",
- " EpoRJAK2 -> EpoRpJAK2; Epo SOCS3 | \n",
- " 0.125895 | \n",
- " 7.581552e+13 | \n",
- " Function for reaction_1 | \n",
- " Reaction_48 | \n",
- " reaction_1 | \n",
- " {'Epo': 'Epo', 'EpoRJAK2': 'EpoRJAK2', 'JAK2Ac... | \n",
- "
\n",
- " \n",
- " reaction_2 | \n",
- " EpoRpJAK2 -> EpoRJAK2; SHP1Act | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_2 | \n",
- " Reaction_49 | \n",
- " reaction_2 | \n",
- " {'EpoRpJAK2': 'EpoRpJAK2', 'JAK2EpoRDeaSHP1': ... | \n",
- "
\n",
- " \n",
- " reaction_3 | \n",
- " EpoRpJAK2 -> p1EpoRpJAK2; SOCS3 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_3 | \n",
- " Reaction_50 | \n",
- " reaction_3 | \n",
- " {'EpoRActJAK2': 'EpoRActJAK2', 'EpoRpJAK2': 'E... | \n",
- "
\n",
- " \n",
- " reaction_4 | \n",
- " EpoRpJAK2 -> p2EpoRpJAK2; EpoRJAK2_CIS SOCS3 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_4 | \n",
- " Reaction_51 | \n",
- " reaction_4 | \n",
- " {'EpoRActJAK2': 'EpoRActJAK2', 'EpoRCISInh': '... | \n",
- "
\n",
- " \n",
- " reaction_5 | \n",
- " p1EpoRpJAK2 -> p12EpoRpJAK2; EpoRJAK2_CIS SOCS3 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_5 | \n",
- " Reaction_52 | \n",
- " reaction_5 | \n",
- " {'EpoRActJAK2': 'EpoRActJAK2', 'EpoRCISInh': '... | \n",
- "
\n",
- " \n",
- " reaction_6 | \n",
- " p2EpoRpJAK2 -> p12EpoRpJAK2; SOCS3 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_6 | \n",
- " Reaction_53 | \n",
- " reaction_6 | \n",
- " {'EpoRActJAK2': 'EpoRActJAK2', 'SOCS3': 'SOCS3... | \n",
- "
\n",
- " \n",
- " reaction_7 | \n",
- " p1EpoRpJAK2 -> EpoRJAK2; SHP1Act | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_7 | \n",
- " Reaction_54 | \n",
- " reaction_7 | \n",
- " {'JAK2EpoRDeaSHP1': 'JAK2EpoRDeaSHP1', 'SHP1Ac... | \n",
- "
\n",
- " \n",
- " reaction_8 | \n",
- " p2EpoRpJAK2 -> EpoRJAK2; SHP1Act | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_8 | \n",
- " Reaction_55 | \n",
- " reaction_8 | \n",
- " {'JAK2EpoRDeaSHP1': 'JAK2EpoRDeaSHP1', 'SHP1Ac... | \n",
- "
\n",
- " \n",
- " reaction_9 | \n",
- " p12EpoRpJAK2 -> EpoRJAK2; SHP1Act | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_9 | \n",
- " Reaction_56 | \n",
- " reaction_9 | \n",
- " {'JAK2EpoRDeaSHP1': 'JAK2EpoRDeaSHP1', 'SHP1Ac... | \n",
- "
\n",
- " \n",
- " reaction_10 | \n",
- " EpoRJAK2_CIS -> ; p12EpoRpJAK2 p1EpoRpJAK2 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_10 | \n",
- " Reaction_57 | \n",
- " reaction_10 | \n",
- " {'EpoRCISRemove': 'EpoRCISRemove', 'EpoRJAK2_C... | \n",
- "
\n",
- " \n",
- " reaction_11 | \n",
- " SHP1 -> SHP1Act; EpoRpJAK2 p12EpoRpJAK2 p1Epo... | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_11 | \n",
- " Reaction_58 | \n",
- " reaction_11 | \n",
- " {'EpoRpJAK2': 'EpoRpJAK2', 'SHP1': 'SHP1', 'SH... | \n",
- "
\n",
- " \n",
- " reaction_12 | \n",
- " SHP1Act -> SHP1 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Mass action (irreversible) | \n",
- " Reaction_59 | \n",
- " reaction_12 | \n",
- " {'k1': 'SHP1Dea', 'substrate': 'SHP1Act'} | \n",
- "
\n",
- " \n",
- " reaction_13 | \n",
- " STAT5 -> pSTAT5; EpoRpJAK2 SOCS3 p12EpoRpJAK2... | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_13 | \n",
- " Reaction_60 | \n",
- " reaction_13 | \n",
- " {'EpoRpJAK2': 'EpoRpJAK2', 'SOCS3': 'SOCS3', '... | \n",
- "
\n",
- " \n",
- " reaction_14 | \n",
- " STAT5 -> pSTAT5; CIS SOCS3 p12EpoRpJAK2 p1Epo... | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_14 | \n",
- " Reaction_61 | \n",
- " reaction_14 | \n",
- " {'CIS': 'CIS', 'CISEqc': 'CISEqc', 'CISInh': '... | \n",
- "
\n",
- " \n",
- " reaction_15 | \n",
- " pSTAT5 -> npSTAT5 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_15 | \n",
- " Reaction_62 | \n",
- " reaction_15 | \n",
- " {'STAT5Imp': 'STAT5Imp', 'cyt': 'cyt', 'pSTAT5... | \n",
- "
\n",
- " \n",
- " reaction_16 | \n",
- " npSTAT5 -> STAT5 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_16 | \n",
- " Reaction_63 | \n",
- " reaction_16 | \n",
- " {'STAT5Exp': 'STAT5Exp', 'npSTAT5': 'npSTAT5',... | \n",
- "
\n",
- " \n",
- " reaction_17 | \n",
- " = CISnRNA1; npSTAT5 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_17 | \n",
- " Reaction_64 | \n",
- " reaction_17 | \n",
- " {'ActD': 'ActD', 'CISRNAEqc': 'CISRNAEqc', 'CI... | \n",
- "
\n",
- " \n",
- " reaction_18 | \n",
- " CISnRNA1 -> CISnRNA2 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Mass action (irreversible) | \n",
- " Reaction_65 | \n",
- " reaction_18 | \n",
- " {'k1': 'CISRNADelay', 'substrate': 'CISnRNA1'} | \n",
- "
\n",
- " \n",
- " reaction_19 | \n",
- " CISnRNA2 -> CISnRNA3 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Mass action (irreversible) | \n",
- " Reaction_66 | \n",
- " reaction_19 | \n",
- " {'k1': 'CISRNADelay', 'substrate': 'CISnRNA2'} | \n",
- "
\n",
- " \n",
- " reaction_20 | \n",
- " CISnRNA3 -> CISnRNA4 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Mass action (irreversible) | \n",
- " Reaction_67 | \n",
- " reaction_20 | \n",
- " {'k1': 'CISRNADelay', 'substrate': 'CISnRNA3'} | \n",
- "
\n",
- " \n",
- " reaction_21 | \n",
- " CISnRNA4 -> CISnRNA5 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Mass action (irreversible) | \n",
- " Reaction_68 | \n",
- " reaction_21 | \n",
- " {'k1': 'CISRNADelay', 'substrate': 'CISnRNA4'} | \n",
- "
\n",
- " \n",
- " reaction_22 | \n",
- " CISnRNA5 -> CISRNA | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_22 | \n",
- " Reaction_69 | \n",
- " reaction_22 | \n",
- " {'CISRNADelay': 'CISRNADelay', 'CISnRNA5': 'CI... | \n",
- "
\n",
- " \n",
- " reaction_23 | \n",
- " CISRNA -> | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Mass action (irreversible) | \n",
- " Reaction_70 | \n",
- " reaction_23 | \n",
- " {'k1': 'CISRNATurn', 'substrate': 'CISRNA'} | \n",
- "
\n",
- " \n",
- " reaction_24 | \n",
- " -> CIS; CISRNA | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_24 | \n",
- " Reaction_71 | \n",
- " reaction_24 | \n",
- " {'CISEqc': 'CISEqc', 'CISRNA': 'CISRNA', 'CISR... | \n",
- "
\n",
- " \n",
- " reaction_25 | \n",
- " CIS -> | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Mass action (irreversible) | \n",
- " Reaction_72 | \n",
- " reaction_25 | \n",
- " {'k1': 'CISTurn', 'substrate': 'CIS'} | \n",
- "
\n",
- " \n",
- " reaction_26 | \n",
- " -> CIS | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_26 | \n",
- " Reaction_73 | \n",
- " reaction_26 | \n",
- " {'CISEqc': 'CISEqc', 'CISEqcOE': 'CISEqcOE', '... | \n",
- "
\n",
- " \n",
- " reaction_27 | \n",
- " = SOCS3nRNA1; npSTAT5 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_27 | \n",
- " Reaction_74 | \n",
- " reaction_27 | \n",
- " {'ActD': 'ActD', 'SOCS3RNAEqc': 'SOCS3RNAEqc',... | \n",
- "
\n",
- " \n",
- " reaction_28 | \n",
- " SOCS3nRNA1 -> SOCS3nRNA2 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Mass action (irreversible) | \n",
- " Reaction_75 | \n",
- " reaction_28 | \n",
- " {'k1': 'SOCS3RNADelay', 'substrate': 'SOCS3nRN... | \n",
- "
\n",
- " \n",
- " reaction_29 | \n",
- " SOCS3nRNA2 -> SOCS3nRNA3 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Mass action (irreversible) | \n",
- " Reaction_76 | \n",
- " reaction_29 | \n",
- " {'k1': 'SOCS3RNADelay', 'substrate': 'SOCS3nRN... | \n",
- "
\n",
- " \n",
- " reaction_30 | \n",
- " SOCS3nRNA3 -> SOCS3nRNA4 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Mass action (irreversible) | \n",
- " Reaction_77 | \n",
- " reaction_30 | \n",
- " {'k1': 'SOCS3RNADelay', 'substrate': 'SOCS3nRN... | \n",
- "
\n",
- " \n",
- " reaction_31 | \n",
- " SOCS3nRNA4 -> SOCS3nRNA5 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Mass action (irreversible) | \n",
- " Reaction_78 | \n",
- " reaction_31 | \n",
- " {'k1': 'SOCS3RNADelay', 'substrate': 'SOCS3nRN... | \n",
- "
\n",
- " \n",
- " reaction_32 | \n",
- " SOCS3nRNA5 -> SOCS3RNA | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_32 | \n",
- " Reaction_79 | \n",
- " reaction_32 | \n",
- " {'SOCS3RNADelay': 'SOCS3RNADelay', 'SOCS3nRNA5... | \n",
- "
\n",
- " \n",
- " reaction_33 | \n",
- " SOCS3RNA -> | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Mass action (irreversible) | \n",
- " Reaction_80 | \n",
- " reaction_33 | \n",
- " {'k1': 'SOCS3RNATurn', 'substrate': 'SOCS3RNA'} | \n",
- "
\n",
- " \n",
- " reaction_34 | \n",
- " -> SOCS3; SOCS3RNA | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_34 | \n",
- " Reaction_81 | \n",
- " reaction_34 | \n",
- " {'SOCS3Eqc': 'SOCS3Eqc', 'SOCS3RNA': 'SOCS3RNA... | \n",
- "
\n",
- " \n",
- " reaction_35 | \n",
- " SOCS3 -> | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Mass action (irreversible) | \n",
- " Reaction_82 | \n",
- " reaction_35 | \n",
- " {'k1': 'SOCS3Turn', 'substrate': 'SOCS3'} | \n",
- "
\n",
- " \n",
- " reaction_36 | \n",
- " -> SOCS3 | \n",
- " 0.000000 | \n",
- " 0.000000e+00 | \n",
- " Function for reaction_36 | \n",
- " Reaction_83 | \n",
- " reaction_36 | \n",
- " {'SOCS3Eqc': 'SOCS3Eqc', 'SOCS3EqcOE': 'SOCS3E... | \n",
- "
\n",
- " \n",
- "
\n",
- "
"
- ],
- "text/plain": [
- " scheme flux \\\n",
- "name \n",
- "reaction_1 EpoRJAK2 -> EpoRpJAK2; Epo SOCS3 0.125895 \n",
- "reaction_2 EpoRpJAK2 -> EpoRJAK2; SHP1Act 0.000000 \n",
- "reaction_3 EpoRpJAK2 -> p1EpoRpJAK2; SOCS3 0.000000 \n",
- "reaction_4 EpoRpJAK2 -> p2EpoRpJAK2; EpoRJAK2_CIS SOCS3 0.000000 \n",
- "reaction_5 p1EpoRpJAK2 -> p12EpoRpJAK2; EpoRJAK2_CIS SOCS3 0.000000 \n",
- "reaction_6 p2EpoRpJAK2 -> p12EpoRpJAK2; SOCS3 0.000000 \n",
- "reaction_7 p1EpoRpJAK2 -> EpoRJAK2; SHP1Act 0.000000 \n",
- "reaction_8 p2EpoRpJAK2 -> EpoRJAK2; SHP1Act 0.000000 \n",
- "reaction_9 p12EpoRpJAK2 -> EpoRJAK2; SHP1Act 0.000000 \n",
- "reaction_10 EpoRJAK2_CIS -> ; p12EpoRpJAK2 p1EpoRpJAK2 0.000000 \n",
- "reaction_11 SHP1 -> SHP1Act; EpoRpJAK2 p12EpoRpJAK2 p1Epo... 0.000000 \n",
- "reaction_12 SHP1Act -> SHP1 0.000000 \n",
- "reaction_13 STAT5 -> pSTAT5; EpoRpJAK2 SOCS3 p12EpoRpJAK2... 0.000000 \n",
- "reaction_14 STAT5 -> pSTAT5; CIS SOCS3 p12EpoRpJAK2 p1Epo... 0.000000 \n",
- "reaction_15 pSTAT5 -> npSTAT5 0.000000 \n",
- "reaction_16 npSTAT5 -> STAT5 0.000000 \n",
- "reaction_17 = CISnRNA1; npSTAT5 0.000000 \n",
- "reaction_18 CISnRNA1 -> CISnRNA2 0.000000 \n",
- "reaction_19 CISnRNA2 -> CISnRNA3 0.000000 \n",
- "reaction_20 CISnRNA3 -> CISnRNA4 0.000000 \n",
- "reaction_21 CISnRNA4 -> CISnRNA5 0.000000 \n",
- "reaction_22 CISnRNA5 -> CISRNA 0.000000 \n",
- "reaction_23 CISRNA -> 0.000000 \n",
- "reaction_24 -> CIS; CISRNA 0.000000 \n",
- "reaction_25 CIS -> 0.000000 \n",
- "reaction_26 -> CIS 0.000000 \n",
- "reaction_27 = SOCS3nRNA1; npSTAT5 0.000000 \n",
- "reaction_28 SOCS3nRNA1 -> SOCS3nRNA2 0.000000 \n",
- "reaction_29 SOCS3nRNA2 -> SOCS3nRNA3 0.000000 \n",
- "reaction_30 SOCS3nRNA3 -> SOCS3nRNA4 0.000000 \n",
- "reaction_31 SOCS3nRNA4 -> SOCS3nRNA5 0.000000 \n",
- "reaction_32 SOCS3nRNA5 -> SOCS3RNA 0.000000 \n",
- "reaction_33 SOCS3RNA -> 0.000000 \n",
- "reaction_34 -> SOCS3; SOCS3RNA 0.000000 \n",
- "reaction_35 SOCS3 -> 0.000000 \n",
- "reaction_36 -> SOCS3 0.000000 \n",
- "\n",
- " particle_flux function key \\\n",
- "name \n",
- "reaction_1 7.581552e+13 Function for reaction_1 Reaction_48 \n",
- "reaction_2 0.000000e+00 Function for reaction_2 Reaction_49 \n",
- "reaction_3 0.000000e+00 Function for reaction_3 Reaction_50 \n",
- "reaction_4 0.000000e+00 Function for reaction_4 Reaction_51 \n",
- "reaction_5 0.000000e+00 Function for reaction_5 Reaction_52 \n",
- "reaction_6 0.000000e+00 Function for reaction_6 Reaction_53 \n",
- "reaction_7 0.000000e+00 Function for reaction_7 Reaction_54 \n",
- "reaction_8 0.000000e+00 Function for reaction_8 Reaction_55 \n",
- "reaction_9 0.000000e+00 Function for reaction_9 Reaction_56 \n",
- "reaction_10 0.000000e+00 Function for reaction_10 Reaction_57 \n",
- "reaction_11 0.000000e+00 Function for reaction_11 Reaction_58 \n",
- "reaction_12 0.000000e+00 Mass action (irreversible) Reaction_59 \n",
- "reaction_13 0.000000e+00 Function for reaction_13 Reaction_60 \n",
- "reaction_14 0.000000e+00 Function for reaction_14 Reaction_61 \n",
- "reaction_15 0.000000e+00 Function for reaction_15 Reaction_62 \n",
- "reaction_16 0.000000e+00 Function for reaction_16 Reaction_63 \n",
- "reaction_17 0.000000e+00 Function for reaction_17 Reaction_64 \n",
- "reaction_18 0.000000e+00 Mass action (irreversible) Reaction_65 \n",
- "reaction_19 0.000000e+00 Mass action (irreversible) Reaction_66 \n",
- "reaction_20 0.000000e+00 Mass action (irreversible) Reaction_67 \n",
- "reaction_21 0.000000e+00 Mass action (irreversible) Reaction_68 \n",
- "reaction_22 0.000000e+00 Function for reaction_22 Reaction_69 \n",
- "reaction_23 0.000000e+00 Mass action (irreversible) Reaction_70 \n",
- "reaction_24 0.000000e+00 Function for reaction_24 Reaction_71 \n",
- "reaction_25 0.000000e+00 Mass action (irreversible) Reaction_72 \n",
- "reaction_26 0.000000e+00 Function for reaction_26 Reaction_73 \n",
- "reaction_27 0.000000e+00 Function for reaction_27 Reaction_74 \n",
- "reaction_28 0.000000e+00 Mass action (irreversible) Reaction_75 \n",
- "reaction_29 0.000000e+00 Mass action (irreversible) Reaction_76 \n",
- "reaction_30 0.000000e+00 Mass action (irreversible) Reaction_77 \n",
- "reaction_31 0.000000e+00 Mass action (irreversible) Reaction_78 \n",
- "reaction_32 0.000000e+00 Function for reaction_32 Reaction_79 \n",
- "reaction_33 0.000000e+00 Mass action (irreversible) Reaction_80 \n",
- "reaction_34 0.000000e+00 Function for reaction_34 Reaction_81 \n",
- "reaction_35 0.000000e+00 Mass action (irreversible) Reaction_82 \n",
- "reaction_36 0.000000e+00 Function for reaction_36 Reaction_83 \n",
- "\n",
- " sbml_id mapping \n",
- "name \n",
- "reaction_1 reaction_1 {'Epo': 'Epo', 'EpoRJAK2': 'EpoRJAK2', 'JAK2Ac... \n",
- "reaction_2 reaction_2 {'EpoRpJAK2': 'EpoRpJAK2', 'JAK2EpoRDeaSHP1': ... \n",
- "reaction_3 reaction_3 {'EpoRActJAK2': 'EpoRActJAK2', 'EpoRpJAK2': 'E... \n",
- "reaction_4 reaction_4 {'EpoRActJAK2': 'EpoRActJAK2', 'EpoRCISInh': '... \n",
- "reaction_5 reaction_5 {'EpoRActJAK2': 'EpoRActJAK2', 'EpoRCISInh': '... \n",
- "reaction_6 reaction_6 {'EpoRActJAK2': 'EpoRActJAK2', 'SOCS3': 'SOCS3... \n",
- "reaction_7 reaction_7 {'JAK2EpoRDeaSHP1': 'JAK2EpoRDeaSHP1', 'SHP1Ac... \n",
- "reaction_8 reaction_8 {'JAK2EpoRDeaSHP1': 'JAK2EpoRDeaSHP1', 'SHP1Ac... \n",
- "reaction_9 reaction_9 {'JAK2EpoRDeaSHP1': 'JAK2EpoRDeaSHP1', 'SHP1Ac... \n",
- "reaction_10 reaction_10 {'EpoRCISRemove': 'EpoRCISRemove', 'EpoRJAK2_C... \n",
- "reaction_11 reaction_11 {'EpoRpJAK2': 'EpoRpJAK2', 'SHP1': 'SHP1', 'SH... \n",
- "reaction_12 reaction_12 {'k1': 'SHP1Dea', 'substrate': 'SHP1Act'} \n",
- "reaction_13 reaction_13 {'EpoRpJAK2': 'EpoRpJAK2', 'SOCS3': 'SOCS3', '... \n",
- "reaction_14 reaction_14 {'CIS': 'CIS', 'CISEqc': 'CISEqc', 'CISInh': '... \n",
- "reaction_15 reaction_15 {'STAT5Imp': 'STAT5Imp', 'cyt': 'cyt', 'pSTAT5... \n",
- "reaction_16 reaction_16 {'STAT5Exp': 'STAT5Exp', 'npSTAT5': 'npSTAT5',... \n",
- "reaction_17 reaction_17 {'ActD': 'ActD', 'CISRNAEqc': 'CISRNAEqc', 'CI... \n",
- "reaction_18 reaction_18 {'k1': 'CISRNADelay', 'substrate': 'CISnRNA1'} \n",
- "reaction_19 reaction_19 {'k1': 'CISRNADelay', 'substrate': 'CISnRNA2'} \n",
- "reaction_20 reaction_20 {'k1': 'CISRNADelay', 'substrate': 'CISnRNA3'} \n",
- "reaction_21 reaction_21 {'k1': 'CISRNADelay', 'substrate': 'CISnRNA4'} \n",
- "reaction_22 reaction_22 {'CISRNADelay': 'CISRNADelay', 'CISnRNA5': 'CI... \n",
- "reaction_23 reaction_23 {'k1': 'CISRNATurn', 'substrate': 'CISRNA'} \n",
- "reaction_24 reaction_24 {'CISEqc': 'CISEqc', 'CISRNA': 'CISRNA', 'CISR... \n",
- "reaction_25 reaction_25 {'k1': 'CISTurn', 'substrate': 'CIS'} \n",
- "reaction_26 reaction_26 {'CISEqc': 'CISEqc', 'CISEqcOE': 'CISEqcOE', '... \n",
- "reaction_27 reaction_27 {'ActD': 'ActD', 'SOCS3RNAEqc': 'SOCS3RNAEqc',... \n",
- "reaction_28 reaction_28 {'k1': 'SOCS3RNADelay', 'substrate': 'SOCS3nRN... \n",
- "reaction_29 reaction_29 {'k1': 'SOCS3RNADelay', 'substrate': 'SOCS3nRN... \n",
- "reaction_30 reaction_30 {'k1': 'SOCS3RNADelay', 'substrate': 'SOCS3nRN... \n",
- "reaction_31 reaction_31 {'k1': 'SOCS3RNADelay', 'substrate': 'SOCS3nRN... \n",
- "reaction_32 reaction_32 {'SOCS3RNADelay': 'SOCS3RNADelay', 'SOCS3nRNA5... \n",
- "reaction_33 reaction_33 {'k1': 'SOCS3RNATurn', 'substrate': 'SOCS3RNA'} \n",
- "reaction_34 reaction_34 {'SOCS3Eqc': 'SOCS3Eqc', 'SOCS3RNA': 'SOCS3RNA... \n",
- "reaction_35 reaction_35 {'k1': 'SOCS3Turn', 'substrate': 'SOCS3'} \n",
- "reaction_36 reaction_36 {'SOCS3Eqc': 'SOCS3Eqc', 'SOCS3EqcOE': 'SOCS3E... "
- ]
- },
- "execution_count": 13,
- "metadata": {},
- "output_type": "execute_result"
- }
- ],
+ "outputs": [],
"source": [
- "reaction_names = get_reactions(model=biomodel)\n",
- "\n",
- "reaction_names"
+ "# reaction_names = get_reactions(model=biomodel)\n",
+ "# \n",
+ "# reaction_names"
]
},
{
"cell_type": "code",
- "execution_count": 14,
+ "execution_count": null,
"id": "454db50d61220bc5",
"metadata": {
- "ExecuteTime": {
- "end_time": "2024-03-04T16:42:28.738709Z",
- "start_time": "2024-03-04T16:42:28.736620Z"
- },
"collapsed": false
},
"outputs": [],
@@ -2218,13 +335,9 @@
},
{
"cell_type": "code",
- "execution_count": 15,
+ "execution_count": null,
"id": "bd6781fe4a749c29",
"metadata": {
- "ExecuteTime": {
- "end_time": "2024-03-04T16:42:28.742401Z",
- "start_time": "2024-03-04T16:42:28.739543Z"
- },
"collapsed": false
},
"outputs": [],
@@ -2236,73 +349,24 @@
},
{
"cell_type": "code",
- "execution_count": 16,
+ "execution_count": null,
"id": "e414174a2d6d331b",
"metadata": {
- "ExecuteTime": {
- "end_time": "2024-03-04T16:42:32.179350Z",
- "start_time": "2024-03-04T16:42:32.175949Z"
- },
"collapsed": false
},
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "{ 'global_parameter_changes': [],\n",
- " 'reaction_changes': [ { 'parameter_changes': [ { 'parameter_name': 'EpoRpRJAK2',\n",
- " 'value': 21312.2},\n",
- " { 'parameter_name': 'EpoRJAK2',\n",
- " 'value': 21312.2}],\n",
- " 'reaction_name': 'reaction_1',\n",
- " 'reaction_scheme': None},\n",
- " { 'parameter_changes': [],\n",
- " 'reaction_name': 'reaction_11',\n",
- " 'reaction_scheme': 'A + B -> C'}],\n",
- " 'species_changes': []}\n"
- ]
- }
- ],
+ "outputs": [],
"source": [
"pp(biomodel_process_changes.model_dump())"
]
},
{
"cell_type": "code",
- "execution_count": 17,
+ "execution_count": null,
"id": "9de88bc52fb9a164",
"metadata": {
- "ExecuteTime": {
- "end_time": "2024-03-04T16:42:32.876207Z",
- "start_time": "2024-03-04T16:42:32.872898Z"
- },
"collapsed": false
},
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "{ 'model_changes': { 'global_parameter_changes': [],\n",
- " 'reaction_changes': [ { 'parameter_changes': [ { 'parameter_name': 'EpoRpRJAK2',\n",
- " 'value': 21312.2},\n",
- " { 'parameter_name': 'EpoRJAK2',\n",
- " 'value': 21312.2}],\n",
- " 'reaction_name': 'reaction_1',\n",
- " 'reaction_scheme': None},\n",
- " { 'parameter_changes': [],\n",
- " 'reaction_name': 'reaction_11',\n",
- " 'reaction_scheme': 'A + B -> C'}],\n",
- " 'species_changes': []},\n",
- " 'model_id': 'BIOMD0000000861',\n",
- " 'model_language': 'sbml',\n",
- " 'model_name': 'composite_from_biomodel',\n",
- " 'model_source': {'value': 'BIOMD0000000861'},\n",
- " 'model_units': None}\n"
- ]
- }
- ],
+ "outputs": [],
"source": [
"biomodel_process_model = Model(\n",
" model_id=biomodel_id,\n",
@@ -2316,45 +380,12 @@
},
{
"cell_type": "code",
- "execution_count": 18,
+ "execution_count": null,
"id": "25ba11c1e1e75f94",
"metadata": {
- "ExecuteTime": {
- "end_time": "2024-03-04T16:43:56.030421Z",
- "start_time": "2024-03-04T16:43:56.025326Z"
- },
"collapsed": false
},
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "{ 'method': 'directMethod',\n",
- " 'model': { 'model_changes': { 'global_parameter_changes': [],\n",
- " 'reaction_changes': [ { 'parameter_changes': [ { 'parameter_name': 'EpoRpRJAK2',\n",
- " 'value': 21312.2},\n",
- " { 'parameter_name': 'EpoRJAK2',\n",
- " 'value': 21312.2}],\n",
- " 'reaction_name': 'reaction_1',\n",
- " 'reaction_scheme': None},\n",
- " { 'parameter_changes': [],\n",
- " 'reaction_name': 'reaction_11',\n",
- " 'reaction_scheme': 'A '\n",
- " '+ '\n",
- " 'B '\n",
- " '-> '\n",
- " 'C'}],\n",
- " 'species_changes': []},\n",
- " 'model_id': 'BIOMD0000000861',\n",
- " 'model_language': 'sbml',\n",
- " 'model_name': 'composite_from_biomodel',\n",
- " 'model_source': {'value': 'BIOMD0000000861'},\n",
- " 'model_units': None},\n",
- " 'process_name': 'copasi_process_from_biomodel'}\n"
- ]
- }
- ],
+ "outputs": [],
"source": [
"biomodel_process_config = CopasiProcessConfigSchema(\n",
" process_name='copasi_process_from_biomodel',\n",
@@ -2378,22 +409,18 @@
},
{
"cell_type": "code",
- "execution_count": 19,
+ "execution_count": null,
"id": "4c3f073b10e2dcc0",
"metadata": {
- "ExecuteTime": {
- "end_time": "2024-03-04T16:47:41.077497Z",
- "start_time": "2024-03-04T16:47:41.072238Z"
- },
"collapsed": false
},
"outputs": [],
"source": [
- "# b[biomodel_process_config.process_name].add_process(\n",
- "# name='CopasiProcess',\n",
- "# model=biomodel_process_config.model,\n",
- "# method=biomodel_process_config.method\n",
- "# )"
+ "b[biomodel_process_config.process_name].add_process(\n",
+ " name='CopasiProcess',\n",
+ " model=biomodel_process_config.model,\n",
+ " method=biomodel_process_config.method\n",
+ ")"
]
},
{