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

(

const String &

base_dir

)

Member Function Documentation

ForcefieldPtr GetForcefield ( )

inline

Definition at line 111 of file ff_reader.hh.

void ReadCHARMMPRM

(

const String &

basename

)

void ReadCHARMMRTF

(

const String &

basename

)

void ReadGromacsForcefield

(

)

void ReadITP

(

const String &

basename

)

void ReadResidueDatabase

(

const String &

basename

)

void SetForcefield ( ForcefieldPtr  ff )

inline

Definition at line 113 of file ff_reader.hh.

void SetPreprocessorDefinition ( const String &  def )

inline

Definition at line 107 of file ff_reader.hh.

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

• stage/include/ost/mol/mm/ff_reader.hh