RxDock: rxdock::ElementFileSource Class Reference

Inheritance diagram for rxdock::ElementFileSource:

Public Member Functions
	ElementFileSource (const std::string &fileName)

RBTDLL_EXPORT std::string	GetTitle ()

std::string	GetVersion ()

unsigned int	GetNumElements ()

std::vector< std::string >	GetElementNameList ()

std::vector< int >	GetAtomicNumberList ()

ElementData	GetElementData (const std::string &strElementName)

ElementData	GetElementData (int nAtomicNumber)

bool	isElementNamePresent (const std::string &strElementName)

bool	isAtomicNumberPresent (int nAtomicNumber)

double	GetHBondRadiusIncr ()

double	GetImplicitRadiusIncr ()

Public Member Functions inherited from rxdock::BaseFileSource
	BaseFileSource (const std::string &fileName)

	BaseFileSource (const std::string &fileName, const std::string &strRecDelim)

RBTDLL_EXPORT std::string	GetFileName ()

void	SetFileName (const std::string &fileName)

bool	StatusOK ()

RBTDLL_EXPORT Error	Status ()

RBTDLL_EXPORT bool	FileStatusOK ()

Error	FileStatus ()

bool	isMultiRecordSupported ()

RBTDLL_EXPORT void	NextRecord ()

void	Rewind ()

RBTDLL_EXPORT std::size_t	GetEstimatedNumRecords ()

Additional Inherited Members
Protected Member Functions inherited from rxdock::BaseFileSource
virtual void	Parse ()=0

void	Read (bool aDelimiterAtEnd=true)

Protected Attributes inherited from rxdock::BaseFileSource
bool	m_bParsedOK

FileRecList	m_lineRecs

The documentation for this class was generated from the following files:

Public Member Functions