Interaction Class Reference

#include <interaction.hh>

Public Member Functions
	Interaction (FuncType func_type)
void	SetTypes (std::vector< String > types)
void	SetNames (std::vector< String > names)
void	SetParam (std::vector< Real > &parameters)
std::vector< String >	GetTypes () const
std::vector< String >	GetNames () const
std::vector< Real >	GetParam () const
ost::mol::AtomHandleList	GetAtoms (const ost::mol::ResidueHandle &res) const
FuncType	GetFuncType () const
bool	ReplaceAtom (const String &name, const String &new_name, const String &new_type)
bool	MatchTypes (const std::vector< String > &atom_types) const
bool	MatchNames (const std::vector< String > &atom_names) const
bool	HasName (const String &name) const
bool	HasType (const String &type) const
bool	IsParametrized () const
bool	HasTypeWildcard () const
bool	HasNameWildcard () const
template<typename DS >
void	Serialize (DS &ds)

Detailed Description

Definition at line 60 of file interaction.hh.

Constructor & Destructor Documentation

Interaction()

Interaction

(

FuncType

func_type

)

Member Function Documentation

GetAtoms()

ost::mol::AtomHandleList GetAtoms

(

const ost::mol::ResidueHandle &

res

)

const

GetFuncType()

FuncType GetFuncType ( ) const

inline

Definition at line 79 of file interaction.hh.

GetNames()

std::vector<String> GetNames ( ) const

inline

Definition at line 73 of file interaction.hh.

GetParam()

std::vector<Real> GetParam ( ) const

inline

Definition at line 75 of file interaction.hh.

GetTypes()

std::vector<String> GetTypes ( ) const

inline

Definition at line 71 of file interaction.hh.

HasName()

bool HasName

(

const String &

name

)

const

HasNameWildcard()

bool HasNameWildcard ( ) const

inline

Definition at line 95 of file interaction.hh.

HasType()

bool HasType

(

const String &

type

)

const

HasTypeWildcard()

bool HasTypeWildcard ( ) const

inline

Definition at line 93 of file interaction.hh.

IsParametrized()

bool IsParametrized ( ) const

inline

Definition at line 91 of file interaction.hh.

MatchNames()

bool MatchNames

(

const std::vector< String > &

atom_names

)

const

MatchTypes()

bool MatchTypes

(

const std::vector< String > &

atom_types

)

const

ReplaceAtom()

bool ReplaceAtom	(	const String &	name,
		const String &	new_name,
		const String &	new_type
	)

Serialize()

void Serialize ( DS &  ds )

inline

Definition at line 98 of file interaction.hh.

SetNames()

void SetNames

(

std::vector< String >

names

)

SetParam()

void SetParam

(

std::vector< Real > &

parameters

)

SetTypes()

void SetTypes

(

std::vector< String >

types

)

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

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