Interaction Class Reference

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.

Interaction ( FuncType func_type )

ost::mol::AtomHandleList GetAtoms ( const ost::mol::ResidueHandle & res ) const

FuncType GetFuncType ( ) const [inline]

Definition at line 79 of file interaction.hh.

std::vector<String> GetNames ( ) const [inline]

Definition at line 73 of file interaction.hh.

std::vector<Real> GetParam ( ) const [inline]

Definition at line 75 of file interaction.hh.

std::vector<String> GetTypes ( ) const [inline]

Definition at line 71 of file interaction.hh.

bool HasName ( const String & name ) const

bool HasNameWildcard ( ) const [inline]

Definition at line 95 of file interaction.hh.

bool HasType ( const String & type ) const

bool HasTypeWildcard ( ) const [inline]

Definition at line 93 of file interaction.hh.

bool IsParametrized ( ) const [inline]

Definition at line 91 of file interaction.hh.

bool MatchNames ( const std::vector< String > & atom_names ) const

bool MatchTypes ( const std::vector< String > & atom_types ) const

void Serialize ( DS & ds ) [inline]

Definition at line 98 of file interaction.hh.

void SetNames ( std::vector< String > names )

void SetParam ( std::vector< Real > & parameters )

void SetTypes ( std::vector< String > types )

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