Package ComboCode :: Package cc :: Package modeling :: Package objects :: Module Molecule
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Module Molecule

source code

Toolbox for Molecules, used in various applications for GASTRoNOoM.

Author: R. Lombaert

Classes [hide private]
  Molecule
A class to deal with molecules in GASTRoNOoM.
Functions [hide private]
Molecule()
makeMoleculeFromDb(molec_id, molecule, path_gastronoom='codeSep2010', mline_db=None)
Make a Molecule() from a database, based on model_id and molec_id.
source code
Variables [hide private]
  __package__ = 'ComboCode.cc.modeling.objects'
Function Details [hide private]

makeMoleculeFromDb(molec_id, molecule, path_gastronoom='codeSep2010', mline_db=None)

source code 

Make a Molecule() from a database, based on model_id and molec_id.

Returns None if the molecule is not available in the database.

Parameters:
  • molec_id (string) - the model_id of the molecule
  • molecule (string) - the short hand name of the molecule
  • path_gastronoom (string) - the output path in the ~/GASTRoNOoM/. directory

    (default: codeSep2010)

  • mline_db (Database()) - The mline database, which can be passed in case one wants to reduce overhead. Not required though.

    (default: None)

Returns: Molecule()
the molecule with all its information embedded