Location: SLC transporters @ 9fd3365f60e3 / src / GLUT2_ss_oi.py

Author:
Weiwei Ai <wai484@aucklanduni.ac.nz>
Date:
2024-05-08 11:00:57+12:00
Desc:
Add CellMLV2 for SGLT1; add fast binding data
Permanent Source URI:
https://models.physiomeproject.org/workspace/b65/rawfile/9fd3365f60e3e56a237516b1193b37f49ad44e2a/src/GLUT2_ss_oi.py

import sys
sys.path.append('../sedmlEditor/')
from sedDict import create_dict_sedDocment, add_sedTask2dict
from sedEditor import create_sedDocment,write_sedml, validate_sedml

# Convert the model to CellML 2.0 if needed
model_name='GLUT2_ss_oi'

# ********** The following is to create a dictionary for the sedml file **********
dict_sedDocument=create_dict_sedDocment()
# This is the sedml file (relative) path and name, assuming in the same folder with the CellML model file
path_='../Facilitated transporter/CellMLV2/'
# model_name='Boron_acid_EA'
model_id = model_name # This is the model id in the sedml, could be different from the model file name
sedFilename = model_name+'.sedml' 
full_path = path_+ sedFilename 

# ********** The following is to add the task information to the dictionary **********

# Note: the following is an example, you can modify it to add more tasks
# Note: the valid sedml id should start with a letter, and only contain letters, numbers, and underscores
# This is the model file name, assuming in the same folder with the sedml file
model_source = model_name + '.cellml' 
# This is to modify the model parameters if needed
changes={
         } 
# the format is {'id':{'component':str,'name':str,'newValue':str}}
# Example: changes={'V_m':{'component':'main','name':'V_m','newValue':'-0.055'}

# This is the output of the simulation, and the key is part of the output id
# The value is a dictionary with the following keys: 'component', 'name', 'scale'
# component is the component name in the CellML model where the output variable is defined
# name is the variable name of the outputs
# scale is the scaling factor for the output variable
outputs={'t':{'component':'GLUT2_BG','name':'t','scale':1},
         'v_free':{'component':'GLUT2_BG','name':'v_free','scale':1}, 
         'v':{'component':'GLUT2_BG','name':'v','scale':1},        
         'q_Ao':{'component':'GLUT2_BG','name':'q_Ao','scale':1/0.09},
         }
# You can add more outputs if needed

# The following is the simulation setting
# This is to set the maximum step size for the simulation
dict_algorithmParameter={'kisaoID':'KISAO:0000467', 'name':'max_step','value':'100'} 
# You can set more algorithm parameters if needed. You can refer to get_KISAO_parameters() in src/simulator.py file to get the parameters for the specific algorithm
# Add the algorithm parameters to listOfAlgorithmParameters
# You can choose one of the simulation algorithms specified by KISAO_ALGORITHMS in src/simulator.py file
dict_algorithm={'kisaoID':'KISAO:0000535','name':'VODE','listOfAlgorithmParameters':[]} 
# This is the simulation setting
# You can choose one of the following simulation types: 'UniformTimeCourse', 'OneStep'
simSetting={'type':'UniformTimeCourse','algorithm':dict_algorithm,'initialTime':0,'outputStartTime':0,'outputEndTime':25,'numberOfSteps':250}
# simSetting={'type':'OneStep','algorithm':dict_algorithm,'step':0.1}


# The following is to add the task information to the dictionary
add_sedTask2dict(dict_sedDocument, model_id, model_source,changes,simSetting,outputs)

# You can repeat the above steps to add more tasks with DIFFERENT model names.

# ********** The following is to create the sedml file, no need to modify **********

try:
    doc=create_sedDocment(dict_sedDocument)
except ValueError as err:
    print(err)
write_sedml(doc,full_path)
print(validate_sedml(full_path))