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Uploaded to pip. Fixes #2.
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cdiener committed Jun 7, 2016
1 parent 392fcce commit 6eded39
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8 changes: 7 additions & 1 deletion README.md
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Expand Up @@ -30,7 +30,13 @@ conda install -c bioconda cobra
After that you can install CORDA using the pip from conda

```bash
pip install https://github.com/cdiener/corda/archive/master.zip
pip install corda
```

To install the latest development version use

```bash
pip install https://github.com/cdiener/corda/archive/devel.zip
```

After CORDA for Python comes out of its infancy I will prepare a conda package
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50 changes: 26 additions & 24 deletions docs/index.ipynb
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Expand Up @@ -171,9 +171,9 @@
"output_type": "stream",
"text": [
"build status: reconstruction complete\n",
"Inc. reactions: 33/101\n",
"Inc. reactions: 20/60\n",
" - unclear: 0/0\n",
" - exclude: 32/100\n",
" - exclude: 19/59\n",
" - low and medium: 0/0\n",
" - high: 1/1\n",
"\n"
Expand All @@ -192,7 +192,7 @@
"cell_type": "markdown",
"metadata": {},
"source": [
"The metric you see are for irreversible reactions. We can obtain the reversible reconstruction using:"
"The metric you see are for reversible reactions. We can obtain the irreversible reconstruction metrics by using:"
]
},
{
Expand All @@ -203,19 +203,21 @@
},
"outputs": [
{
"data": {
"text/plain": [
"33"
]
},
"execution_count": 6,
"metadata": {},
"output_type": "execute_result"
"name": "stdout",
"output_type": "stream",
"text": [
"build status: reconstruction complete\n",
"Inc. reactions: 32/101\n",
" - unclear: 0/0\n",
" - exclude: 31/100\n",
" - low and medium: 0/0\n",
" - high: 1/1\n",
"\n"
]
}
],
"source": [
"rec = opt.cobra_model(name=\"minimum\")\n",
"len(rec.reactions)"
"print(opt.info(reversible=False))"
]
},
{
Expand Down Expand Up @@ -245,9 +247,9 @@
"output_type": "stream",
"text": [
"build status: reconstruction complete\n",
"Inc. reactions: 39/102\n",
"Inc. reactions: 24/61\n",
" - unclear: 0/0\n",
" - exclude: 37/100\n",
" - exclude: 22/59\n",
" - low and medium: 0/0\n",
" - high: 2/2\n",
"\n"
Expand Down Expand Up @@ -278,24 +280,24 @@
"name": "stdout",
"output_type": "stream",
"text": [
"38\n",
"37\n",
"2pg <=> pep\n",
"gtp + oaa <=> gdp + pep\n"
]
}
],
"source": [
"rec2 = opt.cobra_model(\"plus_pep\")\n",
"print(len(rec2.reactions))\n",
"use = rec2.metabolites.pep.reactions\n",
"rec = opt.cobra_model(\"plus_pep\")\n",
"print(len(rec.reactions))\n",
"use = rec.metabolites.pep.reactions\n",
"for r in use: print(r.reaction)"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"As we can see the algorithm actually included two different ways of producing pep, from 3pg and from oaa and several other reactions. This is due to automatic inclusion of redundant pathways (which is good since it gives your model some robustness). If we do not want that feature we can modify the parameter n in the CORDA initializer."
"By default CORDA uses redundancy. This means, in case there are several minimal pathways to reach your objective, CORDA will include several of those (which is good since it gives your model some robustness). If we do not want that feature we can modify the parameter n in the CORDA initializer which denotes the maximum number of redundant pathways to include."
]
},
{
Expand All @@ -309,7 +311,7 @@
"name": "stdout",
"output_type": "stream",
"text": [
"33\n",
"31\n",
"gtp + oaa <=> gdp + pep\n"
]
}
Expand All @@ -318,9 +320,9 @@
"opt = CORDA(mod, conf, met_prod=\"pep\", n=1)\n",
"opt.build()\n",
"\n",
"rec3 = opt.cobra_model(\"plus_pep_nored\")\n",
"print(len(rec3.reactions))\n",
"use = rec3.metabolites.pep.reactions\n",
"rec_min = opt.cobra_model(\"plus_pep_nored\")\n",
"print(len(rec_min.reactions))\n",
"use = rec_min.metabolites.pep.reactions\n",
"for r in use: print(r.reaction)"
]
},
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2 changes: 1 addition & 1 deletion setup.py
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Expand Up @@ -13,7 +13,7 @@

setup(
name='corda',
version='0.0.5',
version='0.1',
description='Genome-scale model construction with CORDA',
long_description=long_description,
url='https://github.com/cdiener/corda',
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