CHARMM coordinate file export. More...
#include <entity_io_pqr_handler.hh>
Inherits ost::mol::EntityVisitor, and ost::mol::EntityVisitor.
Public Member Functions | |
PQRWriter (const String &filename, bool ext=false) | |
PQRWriter (const boost::filesystem::path &filename, bool ext=false) | |
PQRWriter (std::ostream &outstream, bool ext=false) | |
void | Write (const mol::EntityView &ent) |
void | Write (const mol::EntityHandle &ent) |
virtual bool | VisitAtom (const mol::AtomHandle &atom) |
virtual bool | VisitResidue (const mol::ResidueHandle &r) |
void | WriteHeader (const mol::EntityView &ent) |
PQRWriter (const String &filename, bool ext=false) | |
PQRWriter (const boost::filesystem::path &filename, bool ext=false) | |
PQRWriter (std::ostream &outstream, bool ext=false) | |
void | Write (const mol::EntityView &ent) |
void | Write (const mol::EntityHandle &ent) |
virtual bool | VisitAtom (const mol::AtomHandle &atom) |
virtual bool | VisitResidue (const mol::ResidueHandle &r) |
void | WriteHeader (const mol::EntityView &ent) |
CHARMM coordinate file export.
Definition at line 62 of file entity_io_pqr_handler.hh.
PQRWriter | ( | const boost::filesystem::path & | filename, | |
bool | ext = false | |||
) |
PQRWriter | ( | std::ostream & | outstream, | |
bool | ext = false | |||
) |
PQRWriter | ( | const boost::filesystem::path & | filename, | |
bool | ext = false | |||
) |
PQRWriter | ( | std::ostream & | outstream, | |
bool | ext = false | |||
) |
virtual bool VisitAtom | ( | const mol::AtomHandle & | a | ) | [virtual] |
Atom callback.
Reimplemented from EntityVisitor.
virtual bool VisitAtom | ( | const mol::AtomHandle & | a | ) | [virtual] |
Atom callback.
Reimplemented from EntityVisitor.
virtual bool VisitResidue | ( | const mol::ResidueHandle & | r | ) | [virtual] |
Residue callback.
Reimplemented from EntityVisitor.
virtual bool VisitResidue | ( | const mol::ResidueHandle & | r | ) | [virtual] |
Residue callback.
Reimplemented from EntityVisitor.
void Write | ( | const mol::EntityHandle & | ent | ) |
void Write | ( | const mol::EntityView & | ent | ) |
void Write | ( | const mol::EntityHandle & | ent | ) |
void Write | ( | const mol::EntityView & | ent | ) |
void WriteHeader | ( | const mol::EntityView & | ent | ) |
void WriteHeader | ( | const mol::EntityView & | ent | ) |