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

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Class _FEPIO

A class to make access of fepio block pythonic.

Instance Methods

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__init__(self, handle)

_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.

_createAtomMapContainer(self)

_createBondMapContainer(self)

_createAngleMapContainer(self)

_createDihedMapContainer(self)

_createExclMapContainer(self)

_createPairMapContainer(self)

_createOtherBlockContainer(self)

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.

Class Variables

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name = property(_getName, _setName, doc= "fepio block name")

stage = property(_getStage, _setStage, doc= "stage")

_proxy = CreateWhenNeeded(_createProxy, "_proxy")

atommap = CreateWhenNeeded(_createAtomMapContainer, "atommap")

bondmap = CreateWhenNeeded(_createBondMapContainer, "bondmap")

anglemap = CreateWhenNeeded(_createAngleMapContainer, "anglemap")

dihedmap = CreateWhenNeeded(_createDihedMapContainer, "dihedmap")

exclmap = CreateWhenNeeded(_createExclMapContainer, "exclmap")

pairmap = CreateWhenNeeded(_createPairMapContainer, "pairmap")

other_block = CreateWhenNeeded(_createOtherBlockContainer, "ot...

property = property(_getProperty, doc= "A dictionary of fepio ...

Method Details

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_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.

Class Variable Details

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other_block

Value:

CreateWhenNeeded(_createOtherBlockContainer, "other_block")

property

Value:

property(_getProperty, doc= "A dictionary of fepio properties. Keys ar
e strings of " "the form C{type_family_name} as described in the " "L{
PropertyName} documentation and found in C{.cms} files.")