Package schrodinger :: Package application :: Package desmond :: Module ffiostructure :: Class _FEPIO

Class _FEPIO

object --+
         |
        _FEPIO

A class to make access of fepio block pythonic.

Instance Methods

[hide private]

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

_setName(self, name)
Set the name for this fepio block

_getName(self)
Get the name for this fepio block

_setStage(self, stage)
Set the stage

_getStage(self)
Get the stage

_createProxy(self)
A method to create a proxy to be passed to subobjects that need to hold a reference to the parent FEPIO object.

_proxy(...)

_createAtomMapContainer(self)

atommap(...)

_createBondMapContainer(self)

bondmap(...)

_createAngleMapContainer(self)

anglemap(...)

_createDihedMapContainer(self)

dihedmap(...)

_createExclMapContainer(self)

exclmap(...)

_createPairMapContainer(self)

pairmap(...)

_createOtherBlockContainer(self)

other_block(...)

getOtherBlockNames(self)

_getProperty(self)

addAtommap(self)

addBondmap(self)

addAnglemap(self)

addDihedmap(self)

addExclmap(self)

addPairmap(self)

addAtommaps(self, num_items)

addBondmaps(self, num_items)

addAnglemaps(self, num_items)

addDihedmaps(self, num_items)

addExclmaps(self, num_items)

addPairmaps(self, num_items)

addOtherBlock(self, name)
Add a new other block to this fepio block, and return it.

_deleteItems(self, indices, delete_method)
Delete multiple item from fepio sub-block.

deleteAtommaps(self, indices)

deleteBondmaps(self, indices)

deleteAnglemaps(self, indices)

deleteDihedmaps(self, indices)

deleteExclmaps(self, indices)

deletePairmaps(self, indices)

deleteOtherBlocks(self, indices)
Delete multiple other blocks from the fepio block.

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

Properties

[hide private]

name
fepio block name

stage
stage

property
A dictionary of fepio properties.

Inherited from object: __class__

Method Details

[hide private]

init(self, handle)
(Constructor)

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

Overrides: object.__init__: (inherited documentation)

_createProxy(self)

A method to create a proxy to be passed to subobjects that need to hold a reference to the parent FEPIO object. This prevents cyclic references and therefore allows FEPIO instances to be deallocated by reference counting rather than waiting for a garbage collection sweep.

_deleteItems(self, indices, delete_method)

Delete multiple item from fepio sub-block. The argument indices must be a sequence or an iterable, and able to be interpreted as ints.

After deletion, indices are renumbered from 1 to len(<sub-block>). Pre-existing references to items will not be correct, as they store index values.

deleteOtherBlocks(self, indices)

Delete multiple other blocks from the fepio block. The argument indices must be a sequence or an iterable, and able to be interpreted as ints.

After deletion, indices are renumbered from 0 to len(other_block) - 1.

Property Details

[hide private]

name

fepio block name

Get Method:: _getName(self) - Get the name for this fepio block
Set Method:: _setName(self, name) - Set the name for this fepio block

stage

Get Method:: _getStage(self) - Get the stage
Set Method:: _setStage(self, stage) - Set the stage

property

A dictionary of fepio properties. Keys are strings of the form type_family_name as described in the PropertyName documentation and found in .cms files.

Get Method:: _getProperty(self)

Class _FEPIO

__init__(self, handle) (Constructor)

_createProxy(self)

_deleteItems(self, indices, delete_method)

deleteOtherBlocks(self, indices)

name

stage

property

init(self, handle)
(Constructor)