RxDock 0.1.0
A fast, versatile, and open-source program for docking ligands to proteins and nucleic acids
Loading...
Searching...
No Matches
Public Member Functions | Protected Member Functions | Protected Attributes | Friends | List of all members
rxdock::BaseMolecularFileSink Class Reference
Inheritance diagram for rxdock::BaseMolecularFileSink:
rxdock::BaseFileSink rxdock::CSVFileSink rxdock::CrdFileSink rxdock::MdlFileSink rxdock::PsfFileSink

Public Member Functions

 BaseMolecularFileSink (const std::string &fileName, ModelPtr spModel, bool bUseModelSegmentNames=true)
 
virtual bool isMultiConfSupported ()
 
ModelPtr GetModel () const
 
RBTDLL_EXPORT void SetModel (ModelPtr spModel, bool bUseModelSegmentNames=false)
 
void SetNextSegmentId (int nSegmentId)
 
bool GetMultiConf () const
 
void SetMultiConf (bool bMultiConf)
 
void WriteMultiConf ()
 
ModelList GetSolvent () const
 
void SetSolvent (ModelList solventList)
 
- Public Member Functions inherited from rxdock::BaseFileSink
 BaseFileSink (const std::string &fileName)
 
std::string GetFileName () const
 
void SetFileName (const std::string &fileName)
 
bool StatusOK ()
 
Error Status ()
 
virtual void Render ()=0
 

Protected Member Functions

void Reset ()
 
- Protected Member Functions inherited from rxdock::BaseFileSink
void Write (bool bClearCache=true)
 
void AddLine (const std::string &fileRec)
 
void ReplaceLine (const std::string &fileRec, unsigned int nRec)
 
bool isCacheEmpty () const
 
bool GetAppend () const
 
void SetAppend (bool bAppend)
 

Protected Attributes

int m_nAtomId
 
int m_nSubunitId
 
int m_nSegmentId
 
bool m_bUseModelSegmentNames
 

Friends

void to_json (json &j, const BaseMolecularFileSink &baseBiMolFSink)
 
void from_json (const json &j, BaseMolecularFileSink &baseBiMolFSink)
 
The documentation for this class was generated from the following files:
Generated by doxygen 1.9.7