def read_kinetic_lib_from_path(lib_path,
kinetic_db,
overwrite=False,
create=False):
"""
Read RMG kinetic library given its file path. The species dictionary should
be included under the same directory.
Args:
lib_path (str): Path to thermo library file
kinetic_db (RMG KineticsDatabase): RMG database object
"""
if not os.path.exists(lib_path) and create:
create_kinetic_lib(os.path.dirname(lib_path))
lib = KineticsLibrary()
kinetic_db.libraries[lib_path] = lib
kinetic_db.library_order.append(lib_path)
logging.info(
'Created kinetics library {1} at {0} ...'.format(
os.path.split(lib_path)[0],
os.path.split(lib_path)[1]), )
elif lib_path not in kinetic_db.library_order or overwrite:
lib = KineticsLibrary()
try:
lib.load(lib_path,
KineticsDatabase().local_context,
KineticsDatabase().global_context)
except:
logging.error('The library file %s is not vaild.' % (lib_path))
else:
lib.label = lib_path
kinetic_db.libraries[lib.label] = lib
kinetic_db.library_order.append(lib.label)
logging.info(
'Loading kinetics library {1} from {0} ...'.format(
os.path.split(lib_path)[0],
os.path.split(lib_path)[1]), )
else:
logging.warning('The library %s has already been loaded' % (lib_path))
