def run():
# # configure logging
logging.basicConfig(format='%(asctime)s %(message)s', datefmt='%m/%d/%Y %I:%M:%S %p', level=0)
# # initialize a project
project = Project('https://github.com/imodels/simgen/res/binary_lj_sim/online_project.yaml')
generated_code = project.render('binary_lj_sim_prg', output_dir='./generated_code')
print("Generated code:\n {}".format(generated_code))
print("Additional files have been saved to: ./generated_code")
def run():
res_dir = os.path.join(dirname(__file__), '..', '..', 'res', 'binary_lj_sim')
manifest = {
'title': 'Binary LJ Simulation',
'code_path': [os.path.join(res_dir, 'code')],
'concept_path': [os.path.join(res_dir, 'concepts')],
'template_path': [os.path.join(res_dir, 'templates')]
}
project = Project(manifest)
generated_code = project.render('binary_lj_sim_prg', output_dir='generated_code')
print("Generated code:\n {}".format(generated_code))
print("Additional files have been saved to: ./generated_code")
def run():
# # configure logging
# logging.basicConfig(format='%(asctime)s %(message)s', datefmt='%m/%d/%Y %I:%M:%S %p', level=0)
# create a simulated online loader with explicit github url to local directory association
loader = Loader()
local_repo_dir = os.path.join(os.path.dirname(__file__),'..','..')
loader.add_repo("https://github.com/imodels/simgen.git", local_repo_dir)
# # initialize a project
project = Project('https://github.com/imodels/simgen/res/binary_lj_sim/online_project.yaml', loader)
generated_code = project.render('binary_lj_sim_prg', output_dir='./generated_code')
print("Generated code:\n {}".format(generated_code))
print("Additional files have been saved to: ./generated_code")
def run():
res_dir = os.path.join(dirname(__file__), '..', '..', 'res', 'mbuild_test')
manifest = {
'title': 'mBuild example',
'code_path': [os.path.join(res_dir, 'code')],
'concept_path': [os.path.join(res_dir, 'concepts')],
'template_path': [os.path.join(res_dir, 'templates')]
}
project = Project(manifest)
ethane_box = build_ethane_box(n_molecules=200, box= [3, 3, 3])
generated_code = project.render('prg', output_dir='./generated_code', inject_dict={'ethane_box': ethane_box})
print("Generated code:\n {}".format(generated_code))
print("Additional files have been saved to: ./generated_code")
def run():
# # configure logging
# logging.basicConfig(format='%(asctime)s %(message)s', datefmt='%m/%d/%Y %I:%M:%S %p', level=0)
# create a simulated online loader with explicit github url to local directory association
loader = Loader()
local_repo_dir = os.path.join(os.path.dirname(__file__), '..', '..')
loader.add_repo("https://github.com/imodels/simgen.git", local_repo_dir)
# # initialize a project
project = Project(
'https://github.com/imodels/simgen/res/binary_lj_sim/online_project.yaml',
loader)
generated_code = project.render('binary_lj_sim_prg',
output_dir='./generated_code')
print("Generated code:\n {}".format(generated_code))
print("Additional files have been saved to: ./generated_code")
def generate_code(**parameters):
# import pdb; pdb.set_trace()
if OFFLINE:
# load simgen files from local folders
res_dir = os.path.join(os.path.dirname(__file__), 'simgen_project')
manifest = {
'title': 'Monolayer example',
'code_path': [os.path.join(res_dir, 'code')],
'concept_path': [os.path.join(res_dir, 'concepts')],
'template_path': [os.path.join(res_dir, 'templates')]
}
project = Project(manifest)
else:
# load sigmen files from GitHub
project = Project(os.path.join(os.path.dirname(__file__), 'simgen_project', 'online_project.yaml'))
return project.render_tasks('prg', output_dir='./', inject_dict=parameters)
def generate_code(**parameters):
# import pdb; pdb.set_trace()
if OFFLINE:
# load simgen files from local folders
res_dir = os.path.join(os.path.dirname(__file__), 'binary_lj_sim')
manifest = {
'title': 'Binary LJ Simulation Test Project with mBuild',
'code_path': [os.path.join(res_dir, 'code')],
'concept_path': [os.path.join(res_dir, 'concepts')],
'template_path': [os.path.join(res_dir, 'templates')]
}
project = Project(manifest)
else:
# load sigmen files from GitHub
project = Project(os.path.join(os.path.dirname(__file__), 'binary_lj_sim', 'online_project.yaml'))
return project.render_tasks('prg', output_dir='./', inject_dict=parameters)
def run():
res_dir = os.path.join(dirname(__file__), '..', '..', 'res', 'mbuild_test')
manifest = {
'title': 'mBuild example',
'code_path': [os.path.join(res_dir, 'code')],
'concept_path': [os.path.join(res_dir, 'concepts')],
'template_path': [os.path.join(res_dir, 'templates')]
}
project = Project(manifest)
ethane_box = build_ethane_box(n_molecules=200, box=[3, 3, 3])
generated_code = project.render('prg',
output_dir='./generated_code',
inject_dict={'ethane_box': ethane_box})
print("Generated code:\n {}".format(generated_code))
print("Additional files have been saved to: ./generated_code")