PLMD::fileParser Class Reference

Public Member Functions
virtual	~fileParser ()=default
virtual std::optional< std::string >	init (FILE *fileHandle)
virtual std::optional< std::string >	init (std::string_view fmt, std::string_view fname, int command_line_natoms=-1)=0
int	nOfAtoms () const
virtual std::optional< std::string >	readAtoms (int stride, bool dont_read_pbc, bool debug_pd, int pd_start, int pd_nlocal, long long int &step, double *masses, double *charges, double *coordinates, double *cell)=0
virtual std::optional< std::string >	readAtoms (int stride, bool dont_read_pbc, bool debug_pd, int pd_start, int pd_nlocal, long long int &step, float *masses, float *charges, float *coordinates, float *cell)=0
virtual std::optional< std::string >	readHeader (long long int &step, double &timeStep)=0
virtual std::optional< std::string >	readHeader (long long int &step, float &timeStep)=0
virtual std::optional< std::string >	rewind ()

Protected Attributes
int	natoms {-1}

Constructor & Destructor Documentation

~fileParser()

virtual PLMD::fileParser::~fileParser ( )

virtualdefault

Member Function Documentation

init() [1/2]

virtual std::optional< std::string > PLMD::fileParser::init ( FILE * fileHandle )

inlinevirtual

init() [2/2]

virtual std::optional< std::string > PLMD::fileParser::init ( std::string_view fmt, std::string_view fname, int command_line_natoms = -1 )

pure virtual

nOfAtoms()

int PLMD::fileParser::nOfAtoms ( ) const

inline

readAtoms() [1/2]

virtual std::optional< std::string > PLMD::fileParser::readAtoms ( int stride, bool dont_read_pbc, bool debug_pd, int pd_start, int pd_nlocal, long long int & step, double * masses, double * charges, double * coordinates, double * cell )

pure virtual

readAtoms() [2/2]

virtual std::optional< std::string > PLMD::fileParser::readAtoms ( int stride, bool dont_read_pbc, bool debug_pd, int pd_start, int pd_nlocal, long long int & step, float * masses, float * charges, float * coordinates, float * cell )

pure virtual

readHeader() [1/2]

virtual std::optional< std::string > PLMD::fileParser::readHeader ( long long int & step, double & timeStep )

pure virtual

readHeader() [2/2]

virtual std::optional< std::string > PLMD::fileParser::readHeader ( long long int & step, float & timeStep )

pure virtual

rewind()

virtual std::optional< std::string > PLMD::fileParser::rewind ( )

inlinevirtual

Member Data Documentation

natoms

int PLMD::fileParser::natoms {-1}

protected

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

• tools/TrajectoryParser.cpp