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MMFF94NonBonded Member List
This is the complete list of members for
MMFF94NonBonded
, including all inherited members.
clear
()
MMFF94NonBonded
[virtual]
determineMethodOfAtomPairGeneration
()
MMFF94NonBonded
[virtual]
energy_
(defined in
ForceFieldComponent
)
ForceFieldComponent
[protected]
es_energy_
(defined in
MMFF94NonBonded
)
MMFF94NonBonded
[protected]
force_field_
(defined in
ForceFieldComponent
)
ForceFieldComponent
[protected]
ForceFieldComponent
()
ForceFieldComponent
ForceFieldComponent
(ForceField &force_field)
ForceFieldComponent
ForceFieldComponent
(const ForceFieldComponent &force_field_component)
ForceFieldComponent
getAtomPairs
() const (defined in
MMFF94NonBonded
)
MMFF94NonBonded
getEnergy
() const
ForceFieldComponent
[virtual]
getESEnergy
() const (defined in
MMFF94NonBonded
)
MMFF94NonBonded
getForceField
() const
ForceFieldComponent
getName
() const
ForceFieldComponent
getNonBondedData
() const (defined in
MMFF94NonBonded
)
MMFF94NonBonded
getVDWEnergy
() const (defined in
MMFF94NonBonded
)
MMFF94NonBonded
isEnabled
() const (defined in
ForceFieldComponent
)
ForceFieldComponent
MMFF94NonBonded
()
MMFF94NonBonded
MMFF94NonBonded
(ForceField &force_field)
MMFF94NonBonded
MMFF94NonBonded
(const MMFF94NonBonded &MMFF94_non_bonded)
MMFF94NonBonded
operator=
(const MMFF94NonBonded &anb)
MMFF94NonBonded
operator==
(const MMFF94NonBonded &anb)
MMFF94NonBonded
setEnabled
(bool state) (defined in
ForceFieldComponent
)
ForceFieldComponent
setForceField
(ForceField &force_field)
ForceFieldComponent
setName
(const String &name)
ForceFieldComponent
setup
()
MMFF94NonBonded
[virtual]
update
()
MMFF94NonBonded
[virtual]
updateEnergy
()
MMFF94NonBonded
[virtual]
updateForces
()
MMFF94NonBonded
[virtual]
vdw_energy_
(defined in
MMFF94NonBonded
)
MMFF94NonBonded
[protected]
~ForceFieldComponent
()
ForceFieldComponent
[virtual]
~MMFF94NonBonded
()
MMFF94NonBonded
[virtual]