rdkit.VLib.NodeLib.demo

Package rdkit :: Package VLib :: Package NodeLib :: Module demo |
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# Module demo

source code

Variables | [hide private]
| smis = ``[``'``CCOC``'``,` `'``CCO.Cl``'``,` `'``CC(=O)[O-].[Na+]``'``,` `'``CC[Cu]CC``'``,` `'``OCC``...``
| mols = ``[`<rdkit.Chem.rdchem.Mol object>`,` <rdkit.Chem.rdchem.Mol`...``
| supplier = `<rdkit.VLib.Supply.SupplyNode object>`
| metals = ``'``[#21,#22,#23,#24,#25,#26,#27,#28,#29,#39,#40,#41,#42``...``
| smaFilter = `<rdkit.VLib.NodeLib.SmartsMolFilter.SmartsFilter o`...``
| salts = ``[``'``[Cl;H1&X1,-]``'``,` `'``[Na+]``'``,` `'``[O;H2,H1&-,X0&-2]``'``]``
| remover = `<rdkit.VLib.NodeLib.SmartsRemover.SmartsRemover object>`
| atsFilter = `<rdkit.VLib.Filter.FilterNode object>`
| dupeFilter = `<rdkit.VLib.NodeLib.SmilesDupeFilter.DupeFilter o`...``
| io = `<StringIO.StringIO object>`
| output = `<rdkit.VLib.NodeLib.SmilesOutput.OutputNode object>`
| __package__ = ``'``rdkit.VLib.NodeLib``'``
| i = `6`
| x = `<rdkit.Chem.rdchem.Mol object>`

Imports: RDConfig, Chem, os, Supply, Filter, StringIO, SDSupply, SmartsMolFilter, SmartsRemover, SmilesDupeFilter, SmilesOutput

Variables Details | [hide private]

  ### smis Value:
      ['CCOC',
       'CCO.Cl',
       'CC(=O)[O-].[Na+]',
       'CC[Cu]CC',
       'OCC',
       'C[N+](C)(C)C.[Cl-]',
       '[Na+].[Cl-]']

  ### mols Value:
      [<rdkit.Chem.rdchem.Mol object>,
       <rdkit.Chem.rdchem.Mol object>,
       <rdkit.Chem.rdchem.Mol object>,
       <rdkit.Chem.rdchem.Mol object>,
       <rdkit.Chem.rdchem.Mol object>,
       <rdkit.Chem.rdchem.Mol object>,
       <rdkit.Chem.rdchem.Mol object>]

  ### metals Value:
      '[#21,#22,#23,#24,#25,#26,#27,#28,#29,#39,#40,#41,#42,#43,#44,#45,#46,
      #47,#57,#58,#59,#60,#61,#62,#63,#64,#65,#66,#67,#68,#69,#70,#71,#72,#7
      3,#74,#75,#76,#77,#78,#79]'

  ### smaFilter Value:
      <rdkit.VLib.NodeLib.SmartsMolFilter.SmartsFilter object>

  ### dupeFilter Value:
      <rdkit.VLib.NodeLib.SmilesDupeFilter.DupeFilter object>