#include <MMFF94PartialBondChargeIncrementTable.hpp>
◆ Entry() [1/2]
CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::Entry::Entry |
( |
| ) |
|
◆ Entry() [2/2]
CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::Entry::Entry |
( |
unsigned int |
atom_type, |
|
|
double |
part_bond_chg_inc, |
|
|
double |
form_chg_adj_factor |
|
) |
| |
◆ getAtomType()
unsigned int CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::Entry::getAtomType |
( |
| ) |
const |
◆ getPartialChargeIncrement()
double CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::Entry::getPartialChargeIncrement |
( |
| ) |
const |
◆ getFormalChargeAdjustmentFactor()
double CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::Entry::getFormalChargeAdjustmentFactor |
( |
| ) |
const |
◆ operator bool()
CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::Entry::operator bool |
( |
| ) |
const |
The documentation for this class was generated from the following file: