UnityMol  1.0.25beta
Public Member Functions | Public Attributes | List of all members
UMol.Docking.NBEnergetics Class Reference

Public Member Functions

void SetImplementation ()
 

Public Attributes

float sq_threshold = 999.0f * 999.0f
 
float elec_scaling = 332.0522f
 
int [] sizeOfPartition
 
int [] atomPartitions
 
float [] atomFFCharge
 
int [] uniqueTypeIndices
 
Vector2 [] paramArray
 
int numUTypes
 
Vector3 [] atomCoords
 
Energy nbEnergies
 
Action Calculate
 

Member Function Documentation

◆ SetImplementation()

void UMol.Docking.NBEnergetics.SetImplementation ( )

Member Data Documentation

◆ atomCoords

Vector3 [] UMol.Docking.NBEnergetics.atomCoords

◆ atomFFCharge

float [] UMol.Docking.NBEnergetics.atomFFCharge

◆ atomPartitions

int [] UMol.Docking.NBEnergetics.atomPartitions

◆ Calculate

Action UMol.Docking.NBEnergetics.Calculate

◆ elec_scaling

float UMol.Docking.NBEnergetics.elec_scaling = 332.0522f

◆ nbEnergies

Energy UMol.Docking.NBEnergetics.nbEnergies

◆ numUTypes

int UMol.Docking.NBEnergetics.numUTypes

◆ paramArray

Vector2 [] UMol.Docking.NBEnergetics.paramArray

◆ sizeOfPartition

int [] UMol.Docking.NBEnergetics.sizeOfPartition

◆ sq_threshold

float UMol.Docking.NBEnergetics.sq_threshold = 999.0f * 999.0f

◆ uniqueTypeIndices

int [] UMol.Docking.NBEnergetics.uniqueTypeIndices
The documentation for this class was generated from the following file: