Greg Landrum c757ea64b6 add support for replacements in smiles and smarts. ...

remove SmilesToMol and SmartsToMol from RDKFuncs (they leaked)
remove useless wrapper file (SmilesParseOps.i).

2011-07-07 05:45:31 +00:00

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gmwrapper

add support for replacements in smiles and smarts.

2011-07-07 05:45:31 +00:00

AddHs.i

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Atom_doc.i

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Atom.i

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AtomIterators.i

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AtomPairs.i

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BitOps.i

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Bond_doc.i

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Bond.i

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BondIterators_doc.i

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BondIterators.i

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build_docs.sh

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Canon.i

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ChemReactions_doc.i

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ChemReactions.i

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ChemTransforms.i

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CMakeLists.txt

sync with trunk. add inchi support to java wrapper.

2011-06-29 04:42:05 +00:00

Conformer_doc.i

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Conformer.i

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Depict.h

update now that orientation is in the drawing stream

2011-06-20 03:01:34 +00:00

Descriptors.i

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DistGeom.i

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ErrorGenerator.i

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ExplicitBitVect_doc.i

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ExplicitBitVect.i

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Fingerprints.i

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ForceField.i

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GenericRDKitException.h

missed some files on the commit

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Inchi.i

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Lipinski.java

missed some files on the commit

2011-04-08 02:46:35 +00:00

make_templates.py

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

MolOps.i

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MolSupplier.i

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MolTransforms.i

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MolWriters.i

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MorganFingerprints.i

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parse_doxy_html.py

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

PeriodicTable_doc.i

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PeriodicTable.i

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Point3D_doc.i

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point.i

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QueryAtom_doc.i

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QueryAtom.i

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QueryBond_doc.i

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QueryBond.i

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QueryOps.i

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RDKFuncs_doc.i

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RDKitExceptions.i

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RingInfo_doc.i

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RingInfo.i

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Rings.i

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ROMol_doc.i

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ROMol.i

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RWMol_doc.i

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RWMol.i

add support for replacements in smiles and smarts.

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SanitException.i

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SDMolSupplier_doc.i

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SmartsWrite.i

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SmilesMolSupplier_doc.i

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SmilesParse.i

add support for replacements in smiles and smarts.

2011-07-07 05:45:31 +00:00

SmilesParseOps.i

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SmilesWrite.i

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SmilesWriter_doc.i

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Subgraphs.i

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TDTMolSupplier_doc.i

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TDTWriter_doc.i

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Transform2D_doc.i

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Transform3D_doc.i

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transforms.i

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types.i

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