lazy file parser for PDB files
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#include <MolSupplier.h>
lazy file parser for PDB files
Definition at line 330 of file MolSupplier.h.
§ PDBMolSupplier() [1/2]
RDKit::PDBMolSupplier::PDBMolSupplier |
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std::istream * |
inStream, |
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bool |
takeOwnership = true , |
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bool |
sanitize = true , |
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bool |
removeHs = true , |
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unsigned int |
flavor = 0 |
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) |
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explicit |
§ PDBMolSupplier() [2/2]
RDKit::PDBMolSupplier::PDBMolSupplier |
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const std::string & |
fname, |
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bool |
sanitize = true , |
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bool |
removeHs = true , |
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unsigned int |
flavor = 0 |
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) |
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explicit |
§ ~PDBMolSupplier()
virtual RDKit::PDBMolSupplier::~PDBMolSupplier |
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inlinevirtual |
§ atEnd()
virtual bool RDKit::PDBMolSupplier::atEnd |
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virtual |
§ init()
virtual void RDKit::PDBMolSupplier::init |
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virtual |
§ next()
virtual ROMol* RDKit::PDBMolSupplier::next |
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virtual |
§ reset()
virtual void RDKit::PDBMolSupplier::reset |
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virtual |
§ d_flavor
unsigned int RDKit::PDBMolSupplier::d_flavor |
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protected |
§ df_removeHs
bool RDKit::PDBMolSupplier::df_removeHs |
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protected |
§ df_sanitize
bool RDKit::PDBMolSupplier::df_sanitize |
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protected |
The documentation for this class was generated from the following file: