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< StringGetTypes () const
std::vector< StringGetNames () const
std::vector< RealGetParam () 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 ( FuncType  func_type  ) 

Member Function Documentation

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