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

Class PhaseHypothesis

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

Instance Methods

[hide private]

__init__(self, hypo_ct, ref_ct=None, additional_cts=None)
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

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.

Inherited from infra.phase.PhpHypoAdaptor: __repr__, __swig_destroy__, addAttr, addCnst, addCt, addIvol, addMask, addProp, addQsar, addRad, addRules, addTol, addTolByType, addXvol, 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