Chemical Data Processing Library Python API - Version 1.1.1
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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... | |
None CDPL.ForceField.MMFF94VanDerWaalsAtomParameters.__init__ | ( | MMFF94VanDerWaalsAtomParameters | params | ) |
Initializes a copy of the MMFF94VanDerWaalsAtomParameters instance params.
params | The MMFF94VanDerWaalsAtomParameters instance to copy. |
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.
atom_pol | |
eff_el_num | |
fact_a | |
fact_g | |
don_acc_type |