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charlesrocabert committed Jun 15, 2019
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Metadata-Version: 2.1
Name: python-metevolsim
Version: 0.2.1
Name: MetEvolSim
Version: 0.2.2
Summary: MetEvolSim (Metabolome Evolution Simulator) Python Package
Home-page: https://github.com/charlesrocabert/MetEvolSim
Author: Charles Rocabert, Gábor Boross, Balázs Papp
Expand Down Expand Up @@ -55,7 +55,7 @@ Description: <h1 align="center">MetEvolSim</h1>

&bullet; To install the current release of MetEvolSim:
```shell
pip install python-metevolsim
pip install MetEvolSim
```

Alternatively, download the <a href="https://github.com/charlesrocabert/MetEvolSim/releases/latest">latest release</a> in the folder of your choice and unzip it. Then follow the instructions below:
Expand All @@ -72,13 +72,13 @@ Description: <h1 align="center">MetEvolSim</h1>

```python
# Import metevolsim package
import python-metevolsim as metevolsim
import MetEvolSim

# Create an objective function
target_fluxes = [['ATPase', 1.0], ['PDC', 1.0]]

# Load the SBML metabolic model
model = metevolsim.Model(sbml_filename='glycolysis.xml', objective_function=target_fluxes, copasi_path='/Applications/COPASI/CopasiSE')
model = MetEvolSim.Model(sbml_filename='glycolysis.xml', objective_function=target_fluxes, copasi_path='/Applications/COPASI/CopasiSE')

# Print some informations on the metabolic model
print(model.get_number_of_species())
Expand Down Expand Up @@ -110,7 +110,7 @@ Description: <h1 align="center">MetEvolSim</h1>

```python
# Load a Markov Chain Monte Carlo (MCMC) instance
mcmc = metevolsim.MCMC(sbml_filename='glycolysis.xml', objective_function=target_fluxes, total_iterations=10000, sigma=0.01, selection_scheme="MUTATION_ACCUMULATION", selection_threshold=1e-4, copasi_path='/Applications/COPASI/CopasiSE')
mcmc = MetEvolSim.MCMC(sbml_filename='glycolysis.xml', objective_function=target_fluxes, total_iterations=10000, sigma=0.01, selection_scheme="MUTATION_ACCUMULATION", selection_threshold=1e-4, copasi_path='/Applications/COPASI/CopasiSE')

# Initialize the MCMC instance
mcmc.initialize()
Expand All @@ -126,7 +126,7 @@ Description: <h1 align="center">MetEvolSim</h1>
### Sensitivity analysis:
```python
# Load a sensitivity analysis instance
sa = metevolsim.SensitivityAnalysis(sbml_filename='glycolysis.xml', factor_range=1.0, factor_step=0.01, copasi_path='/Applications/COPASI/CopasiSE')
sa = MetEvolSim.SensitivityAnalysis(sbml_filename='glycolysis.xml', factor_range=1.0, factor_step=0.01, copasi_path='/Applications/COPASI/CopasiSE')

# Initialize the sensitivity analysis instance
sa.initialize()
Expand All @@ -140,11 +140,11 @@ Description: <h1 align="center">MetEvolSim</h1>
## Help <a name="help"></a>
To get some help on a MetEvolSim class or method, use the Python help function:
```python
help(metevolsim.Model.set_species_initial_value)
help(MetEvolSim.Model.set_species_initial_value)
```
to obtain a quick description and the list of parameters and outputs:
```
Help on function set_species_initial_value in module metevolsim:
Help on function set_species_initial_value in module MetEvolSim:

set_species_initial_value(self, species_id, value)
Set the initial concentration of the species 'species_id' in the
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Expand Up @@ -3,17 +3,17 @@ MANIFEST.in
README.md
setup.cfg
setup.py
MetEvolSim.egg-info/PKG-INFO
MetEvolSim.egg-info/SOURCES.txt
MetEvolSim.egg-info/dependency_links.txt
MetEvolSim.egg-info/requires.txt
MetEvolSim.egg-info/top_level.txt
example/.DS_Store
example/models/.DS_Store
example/models/holzhutter2004.xml
example/models/holzhutter2004_objective_function.txt
metevolsim/__init__.py
metevolsim/metevolsim.py
python_metevolsim.egg-info/PKG-INFO
python_metevolsim.egg-info/SOURCES.txt
python_metevolsim.egg-info/dependency_links.txt
python_metevolsim.egg-info/requires.txt
python_metevolsim.egg-info/top_level.txt
scripts/.DS_Store
scripts/plot_evolution_rate.R
scripts/plot_sensitivity_analysis.R
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14 changes: 7 additions & 7 deletions README.md
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Expand Up @@ -46,7 +46,7 @@ pip install numpy python-libsbml

&bullet; To install the current release of MetEvolSim:
```shell
pip install python-metevolsim
pip install MetEvolSim
```

Alternatively, download the <a href="https://github.com/charlesrocabert/MetEvolSim/releases/latest">latest release</a> in the folder of your choice and unzip it. Then follow the instructions below:
Expand All @@ -63,13 +63,13 @@ MetEvolSim takes as an input any <a href="http://sbml.org/Main_Page">SBML</a> me

```python
# Import metevolsim package
import python-metevolsim as metevolsim
import MetEvolSim

# Create an objective function
target_fluxes = [['ATPase', 1.0], ['PDC', 1.0]]

# Load the SBML metabolic model
model = metevolsim.Model(sbml_filename='glycolysis.xml', objective_function=target_fluxes, copasi_path='/Applications/COPASI/CopasiSE')
model = MetEvolSim.Model(sbml_filename='glycolysis.xml', objective_function=target_fluxes, copasi_path='/Applications/COPASI/CopasiSE')

# Print some informations on the metabolic model
print(model.get_number_of_species())
Expand Down Expand Up @@ -101,7 +101,7 @@ Three types of evolution experiments are available:

```python
# Load a Markov Chain Monte Carlo (MCMC) instance
mcmc = metevolsim.MCMC(sbml_filename='glycolysis.xml', objective_function=target_fluxes, total_iterations=10000, sigma=0.01, selection_scheme="MUTATION_ACCUMULATION", selection_threshold=1e-4, copasi_path='/Applications/COPASI/CopasiSE')
mcmc = MetEvolSim.MCMC(sbml_filename='glycolysis.xml', objective_function=target_fluxes, total_iterations=10000, sigma=0.01, selection_scheme="MUTATION_ACCUMULATION", selection_threshold=1e-4, copasi_path='/Applications/COPASI/CopasiSE')

# Initialize the MCMC instance
mcmc.initialize()
Expand All @@ -117,7 +117,7 @@ while not stop_MCMC:
### Sensitivity analysis:
```python
# Load a sensitivity analysis instance
sa = metevolsim.SensitivityAnalysis(sbml_filename='glycolysis.xml', factor_range=1.0, factor_step=0.01, copasi_path='/Applications/COPASI/CopasiSE')
sa = MetEvolSim.SensitivityAnalysis(sbml_filename='glycolysis.xml', factor_range=1.0, factor_step=0.01, copasi_path='/Applications/COPASI/CopasiSE')

# Initialize the sensitivity analysis instance
sa.initialize()
Expand All @@ -131,11 +131,11 @@ while not stop_SA:
## Help <a name="help"></a>
To get some help on a MetEvolSim class or method, use the Python help function:
```python
help(metevolsim.Model.set_species_initial_value)
help(MetEvolSim.Model.set_species_initial_value)
```
to obtain a quick description and the list of parameters and outputs:
```
Help on function set_species_initial_value in module metevolsim:
Help on function set_species_initial_value in module MetEvolSim:
set_species_initial_value(self, species_id, value)
Set the initial concentration of the species 'species_id' in the
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4 changes: 2 additions & 2 deletions scripts/run_mcmc.py
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import sys
import time
import numpy as np
import metevolsim
import MetEvolSim

### Read command line arguments ###
def readArgs( argv ):
Expand Down Expand Up @@ -334,7 +334,7 @@ def load_objective_function( filename ):
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# 5) Run the MCMC algorithm #
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
mcmc = metevolsim.MCMC(arguments["sbml-filename"], objective_function, arguments["nb-iterations"], arguments["selection-sigma"], arguments["selection-scheme"], arguments["selection-threshold"], arguments["copasi-path"])
mcmc = MetEvolSim.MCMC(arguments["sbml-filename"], objective_function, arguments["nb-iterations"], arguments["selection-sigma"], arguments["selection-scheme"], arguments["selection-threshold"], arguments["copasi-path"])
stop_mcmc = False
start_time = time.time()
mcmc.initialize()
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4 changes: 2 additions & 2 deletions setup.py
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Expand Up @@ -41,8 +41,8 @@
long_description = f.read()

setup(
name = "python-metevolsim",
version = "0.2.1",
name = "MetEvolSim",
version = "0.2.2",
license = "GNU General Public License v3 (GPLv3)",
description = "MetEvolSim (Metabolome Evolution Simulator) Python Package",
long_description = long_description,
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