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RDKit
Open-source cheminformatics and machine learning.
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#include <MolWriters.h>
Public Member Functions | |
virtual | ~MolWriter () |
virtual void | write (const ROMol &mol, int confId=defaultConfId)=0 |
virtual void | flush ()=0 |
virtual void | close ()=0 |
virtual void | setProps (const STR_VECT &propNames)=0 |
virtual unsigned int | numMols () const =0 |
Definition at line 24 of file MolWriters.h.
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inlinevirtual |
Definition at line 26 of file MolWriters.h.
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pure virtual |
Implemented in RDKit::PDBWriter, RDKit::TDTWriter, RDKit::SDWriter, and RDKit::SmilesWriter.
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pure virtual |
Implemented in RDKit::PDBWriter, RDKit::TDTWriter, RDKit::SDWriter, and RDKit::SmilesWriter.
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pure virtual |
Implemented in RDKit::PDBWriter, RDKit::TDTWriter, RDKit::SDWriter, and RDKit::SmilesWriter.
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pure virtual |
Implemented in RDKit::TDTWriter, RDKit::SDWriter, RDKit::SmilesWriter, and RDKit::PDBWriter.
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pure virtual |
Implemented in RDKit::PDBWriter, RDKit::TDTWriter, RDKit::SDWriter, and RDKit::SmilesWriter.