Package schrodinger :: Package trajectory :: Module ffstructure :: Class _FFSite

Class _FFSite

object --+
         |
        _FFSite

A class to hold force field parameters for a site.

Instance Methods

[hide private]

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

_getSiteName(self)

_setSiteName(self, value)

_getCharge(self)

_setCharge(self, value)

_getMass(self)

_setMass(self, value)

_getC1(self)

_setC1(self, value)

_getC2(self)

_setC2(self, value)

_getType(self)

_setType(self, value)

_getVdwtype(self)

_setVdwtype(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]

site_name
atom name

charge
charge

mass
mass

c1
force constant

c2
force constant

type
type of this site, pseudo or atom

vdwtype
the name in a vdwtype block

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]

site_name

atom name

Get Method:: _getSiteName(self)
Set Method:: _setSiteName(self, value)

charge

Get Method:: _getCharge(self)
Set Method:: _setCharge(self, value)

mass

Get Method:: _getMass(self)
Set Method:: _setMass(self, value)

c1

force constant

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

c2

force constant

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

type

type of this site, pseudo or atom

Get Method:: _getType(self)
Set Method:: _setType(self, value)

vdwtype

the name in a vdwtype block

Get Method:: _getVdwtype(self)
Set Method:: _setVdwtype(self, value)

property

properties

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

Class _FFSite

__init__(self, ffhandle, index) (Constructor)

site_name

charge

mass

c1

c2

type

vdwtype

property

init(self, ffhandle, index)
(Constructor)