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RDKit
Open-source cheminformatics and machine learning.
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lazy file parser for PDB files More...
#include <MolSupplier.h>
Public Member Functions | |
PDBMolSupplier (std::istream *inStream, bool takeOwnership=true, bool sanitize=true, bool removeHs=true, unsigned int flavor=0, bool proximityBonding=true) | |
PDBMolSupplier (const std::string &fname, bool sanitize=true, bool removeHs=true, unsigned int flavor=0, bool proximityBonding=true) | |
~PDBMolSupplier () override | |
void | init () override |
void | reset () override |
ROMol * | next () override |
bool | atEnd () override |
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MolSupplier () | |
virtual | ~MolSupplier () |
virtual void | close () |
Protected Attributes | |
bool | df_sanitize |
bool | df_removeHs |
bool | df_proximityBonding |
unsigned int | d_flavor |
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std::istream * | dp_inStream = nullptr |
bool | df_owner = false |
Additional Inherited Members | |
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std::istream * | openAndCheckStream (const std::string &filename) |
lazy file parser for PDB files
Definition at line 381 of file MolSupplier.h.
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explicit |
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explicit |
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inlineoverride |
Definition at line 391 of file MolSupplier.h.
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overridevirtual |
Implements RDKit::MolSupplier.
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overridevirtual |
Implements RDKit::MolSupplier.
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overridevirtual |
Implements RDKit::MolSupplier.
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overridevirtual |
Implements RDKit::MolSupplier.
Definition at line 400 of file MolSupplier.h.
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protected |
Definition at line 399 of file MolSupplier.h.
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protected |
Definition at line 399 of file MolSupplier.h.
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protected |
Definition at line 399 of file MolSupplier.h.