FFReader Class Reference

#include <ff_reader.hh>

Public Member Functions
	FFReader (const String &base_dir)
void	SetPreprocessorDefinition (const String &def)
void	ReadGromacsForcefield ()
ForcefieldPtr	GetForcefield ()
void	SetForcefield (ForcefieldPtr ff)
void	ReadResidueDatabase (const String &basename)
void	ReadITP (const String &basename)
void	ReadCHARMMPRM (const String &basename)
void	ReadCHARMMRTF (const String &basename)

Detailed Description

Definition at line 102 of file ff_reader.hh.

Constructor & Destructor Documentation

FFReader()

FFReader

(

const String &

base_dir

)

Member Function Documentation

GetForcefield()

ForcefieldPtr GetForcefield ( )

inline

Definition at line 111 of file ff_reader.hh.

ReadCHARMMPRM()

void ReadCHARMMPRM

(

const String &

basename

)

ReadCHARMMRTF()

void ReadCHARMMRTF

(

const String &

basename

)

ReadGromacsForcefield()

void ReadGromacsForcefield

(

)

ReadITP()

void ReadITP

(

const String &

basename

)

ReadResidueDatabase()

void ReadResidueDatabase

(

const String &

basename

)

SetForcefield()

void SetForcefield ( ForcefieldPtr  ff )

inline

Definition at line 113 of file ff_reader.hh.

SetPreprocessorDefinition()

void SetPreprocessorDefinition ( const String &  def )

inline

Definition at line 107 of file ff_reader.hh.

---

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

• build-dev-doc/stage/include/ost/mol/mm/ff_reader.hh