Package schrodinger :: Package trajectory :: Module ffstructure :: Class _FFDihedral

Class _FFDihedral

object --+
         |
        _FFDihedral

A class to hold force field parameters for a dihedral.

OPLS_PROPER, OPLS_IMPROPER, RB, RBI
PROPER_FOURIER, IMPORPER_FOURIER
PROPERT_TRIG, IMPORPERT_TRIG

Instance Methods

[hide private]

__init__(self, ffhandle, index)
x.__init__(...) initializes x; see help(type(x)) for signature

_getFunct(self)

_setFunct(self, value)

_getI1(self)

_setI1(self, value)

_getAi(self)

_setAi(self, value)

_getAj(self)

_setAj(self, value)

_getAk(self)

_setAk(self, value)

_getAl(self)

_setAl(self, value)

_getC0(self)

_setC0(self, value)

_getC1(self)

_setC1(self, value)

_getC2(self)

_setC2(self, value)

_getC3(self)

_setC3(self, value)

_getC4(self)

_setC4(self, value)

_getC5(self)

_setC5(self, value)

_getC6(self)

_setC6(self, value)

_getProperty(self)

_setProperty(self, d)

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties

[hide private]

funct
function name

i1
i1

ai
atom index 1

aj
atom index 2

ak
atom index 3

al
atom index 4

c0
force constant

c1
force const

c2
force const

c3
force constant

c4
force constant

c5
force constant

c6
c6

property
properties

Inherited from object: __class__

Method Details

[hide private]

init(self, ffhandle, index)
(Constructor)

x.__init__(...) initializes x; see help(type(x)) for signature

Overrides: object.__init__: (inherited documentation)

Property Details

[hide private]

funct

function name

Get Method:: _getFunct(self)
Set Method:: _setFunct(self, value)

i1

Get Method:: _getI1(self)
Set Method:: _setI1(self, value)

ai

atom index 1

Get Method:: _getAi(self)
Set Method:: _setAi(self, value)

aj

atom index 2

Get Method:: _getAj(self)
Set Method:: _setAj(self, value)

ak

atom index 3

Get Method:: _getAk(self)
Set Method:: _setAk(self, value)

al

atom index 4

Get Method:: _getAl(self)
Set Method:: _setAl(self, value)

c0

force constant

Get Method:: _getC0(self)
Set Method:: _setC0(self, value)

c1

force const

Get Method:: _getC1(self)
Set Method:: _setC1(self, value)

c2

force const

Get Method:: _getC2(self)
Set Method:: _setC2(self, value)

c3

force constant

Get Method:: _getC3(self)
Set Method:: _setC3(self, value)

c4

force constant

Get Method:: _getC4(self)
Set Method:: _setC4(self, value)

c5

force constant

Get Method:: _getC5(self)
Set Method:: _setC5(self, value)

c6

Get Method:: _getC6(self)
Set Method:: _setC6(self, value)

property

properties

Get Method:: _getProperty(self)
Set Method:: _setProperty(self, d)

Class _FFDihedral

__init__(self, ffhandle, index) (Constructor)

funct

i1

ai

aj

ak

al

c0

c1

c2

c3

c4

c5

c6

property

init(self, ffhandle, index)
(Constructor)