Converter Class Reference

List of all members.

Public Member Functions
	Converter ()
int	readcn (char *name)
void	reflashS ()
int	writepdb (char *fname)
Public Attributes
int	_NP
char	matname [100]
int	reflash
double	ex
double	ey
double	ez
double	sx0
double	sy0
double	sz0
double	ratio
class Vector3	_SR [NPM]
int	_LATOMTYPE [NPM]
class Matrix33 _H	_VIRIAL

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Detailed Description

Definition at line 28 of file cn2pdb.cpp.

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Constructor & Destructor Documentation

Converter::Converter

(

)

[inline]

Definition at line 39 of file cn2pdb.cpp.

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Member Function Documentation

int Converter::readcn

(

char *

name

)

[inline]

Definition at line 40 of file cn2pdb.cpp.

References _NP, _SR, LFile::Close(), LFile::LoadToString(), NULL, LFile::O_Read, and LFile::Open().

Referenced by cn2pdb().

void Converter::reflashS

(

)

[inline]

Definition at line 86 of file cn2pdb.cpp.

References _NP, and _SR.

Referenced by cn2pdb().

int Converter::writepdb

(

char *

fname

)

[inline]

Definition at line 88 of file cn2pdb.cpp.

References _LATOMTYPE, _NP, _SR, LFile::BZipFile(), M_PI, matname, Vector3::norm(), ratio, s, Matrix33::set(), Vector3::set(), Vector3::subint(), Vector3::x, Vector3::y, and Vector3::z.

Referenced by cn2pdb().

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Member Data Documentation

int Converter::_LATOMTYPE[NPM]

Definition at line 36 of file cn2pdb.cpp.

Referenced by writepdb().

int Converter::_NP

Definition at line 30 of file cn2pdb.cpp.

Referenced by readcn(), reflashS(), and writepdb().

class Vector3 Converter::_SR[NPM]

Definition at line 34 of file cn2pdb.cpp.

Referenced by readcn(), reflashS(), and writepdb().

class Matrix33 _H Converter::_VIRIAL

Definition at line 37 of file cn2pdb.cpp.

double Converter::ex

Definition at line 32 of file cn2pdb.cpp.

Referenced by cn2pdb().

double Converter::ey

Definition at line 32 of file cn2pdb.cpp.

Referenced by cn2pdb().

double Converter::ez

Definition at line 32 of file cn2pdb.cpp.

Referenced by cn2pdb().

char Converter::matname[100]

Definition at line 31 of file cn2pdb.cpp.

Referenced by cn2pdb(), and writepdb().

double Converter::ratio

Definition at line 33 of file cn2pdb.cpp.

Referenced by cn2pdb(), and writepdb().

int Converter::reflash

Definition at line 32 of file cn2pdb.cpp.

Referenced by cn2pdb().

double Converter::sx0

Definition at line 32 of file cn2pdb.cpp.

Referenced by cn2pdb().

double Converter::sy0

Definition at line 32 of file cn2pdb.cpp.

Referenced by cn2pdb().

double Converter::sz0

Definition at line 32 of file cn2pdb.cpp.

Referenced by cn2pdb().

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

• My Documents/Codes/MD++.svn/trunk/src/cn2pdb.cpp