ForceFields.FFResidue Class Reference

Class FFResidue Container for residue definitions in a force field. Subclass if you need to add more detailed info. More...

Public Member Functions
	FFResidue (string name)
void	AddAtom (FFAtom newAtom)
bool	ContainsAtom (FFAtom anAtom)
bool	ContainsAtom (string atomName)
FFAtom	GetAtom (string atomName)
override String	ToString ()

Public Attributes
string	name
Dictionary< string, FFAtom >	atoms = new Dictionary<string, FFAtom>()

Detailed Description

Class FFResidue Container for residue definitions in a force field. Subclass if you need to add more detailed info.

Constructor & Destructor Documentation

FFResidue()

ForceFields.FFResidue.FFResidue

(

string

name

)

Member Function Documentation

AddAtom()

void ForceFields.FFResidue.AddAtom

(

FFAtom

newAtom

)

ContainsAtom() [1/2]

bool ForceFields.FFResidue.ContainsAtom

(

FFAtom

anAtom

)

ContainsAtom() [2/2]

bool ForceFields.FFResidue.ContainsAtom

(

string

atomName

)

GetAtom()

FFAtom ForceFields.FFResidue.GetAtom

(

string

atomName

)

ToString()

override String ForceFields.FFResidue.ToString

(

)

Member Data Documentation

atoms

Dictionary<string, FFAtom> ForceFields.FFResidue.atoms = new Dictionary<string, FFAtom>()

name

string ForceFields.FFResidue.name

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

• C:/Users/Xavier/Dev/UnityMolX/Assets/Scripts/ForceFields/ForceFields.cs