Author: bugman Date: Sun Nov 18 21:03:57 2007 New Revision: 3563 URL: http://svn.gna.org/viewcvs/relax?rev=3563&view=rev Log: Reordered the user functions in prompt/molecule.py. Modified: 1.3/prompt/molecule.py Modified: 1.3/prompt/molecule.py URL: http://svn.gna.org/viewcvs/relax/1.3/prompt/molecule.py?rev=3563&r1=3562&r2=3563&view=diff ============================================================================== --- 1.3/prompt/molecule.py (original) +++ 1.3/prompt/molecule.py Sun Nov 18 21:03:57 2007 @@ -43,46 +43,6 @@ self.__relax__ = relax - def create(self, mol_name=None): - """Function for creating a new molecule. - - Keyword Arguments - ~~~~~~~~~~~~~~~~~ - - mol_name: The name of the molecule. - - - Description - ~~~~~~~~~~~ - - This function will add a new molecule data container to the relax data storage object. The - same molecule name cannot be used more than once. - - - Examples - ~~~~~~~~ - - To create the molecules 'Ap4Aase', 'ATP', and 'MgF4', type: - - relax> molecule.create('Ap4Aase') - relax> molecule.create('ATP') - relax> molecule.create('MgF4') - """ - - # Function intro text. - if self.__relax__.interpreter.intro: - text = sys.ps3 + "molecule.create(" - text = text + "mol_name=" + `mol_name` + ")" - print text - - # Molecule name. - if type(mol_name) != str: - raise RelaxStrError, ('molecule name', mol_name) - - # Execute the functional code. - molecule.create(mol_name=mol_name) - - def copy(self, pipe_from=None, mol_from=None, pipe_to=None, mol_to=None): """Function for copying all data associated with a molecule. @@ -149,6 +109,46 @@ # Execute the functional code. molecule.copy(pipe_from=pipe_from, mol_from=mol_from, pipe_to=pipe_to, mol_to=mol_to) + + + def create(self, mol_name=None): + """Function for creating a new molecule. + + Keyword Arguments + ~~~~~~~~~~~~~~~~~ + + mol_name: The name of the molecule. + + + Description + ~~~~~~~~~~~ + + This function will add a new molecule data container to the relax data storage object. The + same molecule name cannot be used more than once. + + + Examples + ~~~~~~~~ + + To create the molecules 'Ap4Aase', 'ATP', and 'MgF4', type: + + relax> molecule.create('Ap4Aase') + relax> molecule.create('ATP') + relax> molecule.create('MgF4') + """ + + # Function intro text. + if self.__relax__.interpreter.intro: + text = sys.ps3 + "molecule.create(" + text = text + "mol_name=" + `mol_name` + ")" + print text + + # Molecule name. + if type(mol_name) != str: + raise RelaxStrError, ('molecule name', mol_name) + + # Execute the functional code. + molecule.create(mol_name=mol_name) def delete(self, mol_id=None):