mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-03 21:44:30 +08:00
@@ -34,6 +34,12 @@
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%include "std_pair.i"
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%include "std_string.i"
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%include "std_vector.i"
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#ifdef SWIGCSHARP
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%include <std_unique_ptr.i>
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%unique_ptr(RDKit::RWMol)
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#endif
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%{
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#include <RDGeneral/types.h>
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#include <GraphMol/ROMol.h>
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@@ -48,19 +48,10 @@
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%ignore RDKit::RWMol::addAtom(Atom *atom,bool updateLabel,bool takeOwnership);
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%ignore RDKit::RWMol::addBond(Bond *bond,bool takeOwnership);
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%newobject RDKit::SmilesToMol;
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%newobject RDKit::SmartsToMol;
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%newobject RDKit::MolBlockToMol;
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%newobject RDKit::MolFileToMol;
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%newobject RDKit::MolFromMolFile;
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%newobject RDKit::MolFromTPLFIle;
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%newobject RDKit::MolFromMol2File;
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%newobject RDKit::MolFromMol2Block;
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%newobject RDKit::MolFromPDBBlock;
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%newobject RDKit::MolFromPDBFile;
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%newobject RDKit::MolFromSequence;
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%newobject RDKit::MolFromFasta;
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%newobject RDKit::v1::SmilesToMol;
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%newobject RDKit::v1::SmartsToMol;
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%newobject RDKit::v1::MolBlockToMol;
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%newobject RDKit::v1::MolFileToMol;
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%shared_ptr(RDKit::RWMol)
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%include "enums.swg"
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