UnityMol  1.0.25beta
ForceFields.ForceField Class Reference

Public Member Functions

 ForceField (string name)
 
void AddResidue (FFResidue aResidue)
 
bool ContainsResidue (FFResidue aResidue)
 
bool ContainsResidue (string resName)
 
FFResidue GetResidue (string resName)
 
void AddAtomType (FFAtomType anAtomType)
 
bool ContainsAtomType (FFAtomType anAtomType)
 
bool ContainsAtomType (string atomTypeName)
 
FFAtomType GetAtomType (string atomTypeName)
 
override String ToString ()
 

Public Attributes

string name
 

Constructor & Destructor Documentation

◆ ForceField()

ForceFields.ForceField.ForceField ( string  name)

Member Function Documentation

◆ AddAtomType()

void ForceFields.ForceField.AddAtomType ( FFAtomType  anAtomType)

◆ AddResidue()

void ForceFields.ForceField.AddResidue ( FFResidue  aResidue)

◆ ContainsAtomType() [1/2]

bool ForceFields.ForceField.ContainsAtomType ( FFAtomType  anAtomType)

◆ ContainsAtomType() [2/2]

bool ForceFields.ForceField.ContainsAtomType ( string  atomTypeName)

◆ ContainsResidue() [1/2]

bool ForceFields.ForceField.ContainsResidue ( FFResidue  aResidue)

◆ ContainsResidue() [2/2]

bool ForceFields.ForceField.ContainsResidue ( string  resName)

◆ GetAtomType()

FFAtomType ForceFields.ForceField.GetAtomType ( string  atomTypeName)

◆ GetResidue()

FFResidue ForceFields.ForceField.GetResidue ( string  resName)

◆ ToString()

override String ForceFields.ForceField.ToString ( )

Member Data Documentation

◆ name

string ForceFields.ForceField.name

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