lazy file parser for PDB files
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#include <MolSupplier.h>
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| PDBMolSupplier (std::istream *inStream, bool takeOwnership=true, bool sanitize=true, bool removeHs=true, unsigned int flavor=0, bool proximityBonding=true) |
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| PDBMolSupplier (const std::string &fname, bool sanitize=true, bool removeHs=true, unsigned int flavor=0, bool proximityBonding=true) |
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| ~PDBMolSupplier () override |
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void | init () override |
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void | reset () override |
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ROMol * | next () override |
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bool | atEnd () override |
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| MolSupplier () |
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virtual | ~MolSupplier () |
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virtual void | close () |
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lazy file parser for PDB files
Definition at line 380 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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bool |
proximityBonding = true |
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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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bool |
proximityBonding = true |
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) |
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explicit |
◆ ~PDBMolSupplier()
RDKit::PDBMolSupplier::~PDBMolSupplier |
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inlineoverride |
◆ atEnd()
bool RDKit::PDBMolSupplier::atEnd |
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overridevirtual |
◆ init()
void RDKit::PDBMolSupplier::init |
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overridevirtual |
◆ next()
ROMol* RDKit::PDBMolSupplier::next |
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overridevirtual |
◆ reset()
void RDKit::PDBMolSupplier::reset |
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overridevirtual |
◆ d_flavor
unsigned int RDKit::PDBMolSupplier::d_flavor |
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protected |
◆ df_proximityBonding
bool RDKit::PDBMolSupplier::df_proximityBonding |
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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: