Package schrodinger :: Package application :: Package phase :: Module hypothesis :: Class PhaseHypothesis
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Class PhaseHypothesis

                object --+    
                         |    
infra.phase.PhpHypoAdaptor --+
                             |
                            PhaseHypothesis

Instance Methods [hide private]
 
__init__(self, *args, **kwargs)
Initializes a Phase hypothesis from phase.PhpHypoAdaptor
 
_propertyUpdate(self)
Draws the public property dictionary from the hypothesis ct
 
_propertySetItem(self, key, value)
Adds a value into the hypothesis property dictionary using the phase.PhpHypoAdaptor addProp interface, and updates the dictionary.
str
title(self)
Returns the hypothesis ID as the title
 
setProjectTableEntry(self, entry_id)
Updates the structure in the project table for the given entry ID with the current PhaseHypothesis.
 
write(self, filename)
Writes the hypothesis to disk in the single file *.phypo format
 
visibleXvol(self)
Returns if the excluded volume visibility property is enabled.
 
visibleRefCt(self)
Returns if the reference ligand visibility property is enabled.
 
visibleTol(self)
Returns if the tolerances visibility property is enabled.
 
visiblePropLabels(self)
Returns if the property labels should be shown.
 
manageXvolIsOpen(self)
Returns True if manage excluded volumes panel for this hypothesis is open.

Inherited from infra.phase.PhpHypoAdaptor: __repr__, __swig_destroy__, addAttr, addCnst, addCt, addIvol, addMask, addProp, addQsar, addRad, addRules, addTol, addTolByType, addXvol, convert, deleteAttr, getAddCtCount, getAddCts, getCnst, getFd, getFragCount, getFragCts, getFragMap, getFragSites, getHypoCt, getHypoID, getHypoSites, getIvol, getMask, getProp, getQsar, getRad, getRefCt, getRefSites, getRules, getSiteCount, getSiteTypes, getTol, getXvol, hasAddCts, hasCnst, hasFrag, hasIvol, hasMask, hasQsar, hasRad, hasRefCt, hasRules, hasTol, hasXvol, save, setFrag, setHypoID, writeSummary

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

Class Variables [hide private]
  HYPO_FILE_EXT = '.phypo'
Properties [hide private]

Inherited from infra.phase.PhpHypoAdaptor: thisown

Inherited from object: __class__

Method Details [hide private]

__init__(self, *args, **kwargs)
(Constructor)

 

Initializes a Phase hypothesis from phase.PhpHypoAdaptor

Overrides: object.__init__

title(self)

 

Returns the hypothesis ID as the title

Returns: str
hypothesis ID title

setProjectTableEntry(self, entry_id)

 

Updates the structure in the project table for the given entry ID with the current PhaseHypothesis.

Parameters:
  • entry_id (int or str) - entry id to set hypothesis to

write(self, filename)

 

Writes the hypothesis to disk in the single file *.phypo format

Parameters:
  • filename - hypothesis filename to write to