Chemical Data Processing Library Python API - Version 1.1.1
Public Member Functions | List of all members
CDPL.ForceField.MMFF94VanDerWaalsAtomParameters Class Reference
+ Inheritance diagram for CDPL.ForceField.MMFF94VanDerWaalsAtomParameters:

Public Member Functions

None __init__ (MMFF94VanDerWaalsAtomParameters params)
 Initializes a copy of the MMFF94VanDerWaalsAtomParameters instance params. More...
 
None __init__ (float atom_pol, float eff_el_num, float fact_a, float fact_g, HDonorAcceptorType don_acc_type)
 Initializes the MMFF94VanDerWaalsAtomParameters instance. More...
 

Constructor & Destructor Documentation

◆ __init__() [1/2]

None CDPL.ForceField.MMFF94VanDerWaalsAtomParameters.__init__ ( MMFF94VanDerWaalsAtomParameters  params)

Initializes a copy of the MMFF94VanDerWaalsAtomParameters instance params.

Parameters
paramsThe MMFF94VanDerWaalsAtomParameters instance to copy.

◆ __init__() [2/2]

None CDPL.ForceField.MMFF94VanDerWaalsAtomParameters.__init__ ( float  atom_pol,
float  eff_el_num,
float  fact_a,
float  fact_g,
HDonorAcceptorType  don_acc_type 
)

Initializes the MMFF94VanDerWaalsAtomParameters instance.

Parameters
atom_pol
eff_el_num
fact_a
fact_g
don_acc_type