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

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Class PhaseHypothesisStandard

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

Phase hypothesis created from standard sites found in the given reference ligand. Phase default feature defintions are used if not supplied.

Instance Methods

__init__(self, hypo_ID, standard_sites, reference_ligand, feature_defintions=None)
Initializes a Phase hypothesis from phase.PhpHypoAdaptor

Inherited from PhaseHypothesis: addFeatureTypeEquivalencies, getSiteNumber, manageXvolIsOpen, setProjectTableEntry, title, visiblePropLabels, visibleRefCt, visibleTol, visibleXvol, write

Inherited from infra.phase.PhpHypoAdaptor: __repr__, __swig_destroy__, addAttr, addCnst, addCt, addIvol, addMask, addProp, addQsar, addRad, addRules, addSite, addTol, addTolByType, addXvol, buildAllAttr, convert, convertToStatic, deleteAttr, deleteSite, deleteSiteFast, getAddCtCount, getAddCts, getCnst, getFd, getHypoCt, getHypoID, getHypoSites, getIvol, getMask, getProp, getQsar, getRad, getRefCt, getRefSites, getRules, getSite, getSiteByDisplayName, getSiteCount, getSiteIndexFromDisplayName, getSiteTypes, getSummary, getTol, getXvol, hasAddCts, hasCnst, hasIvol, hasMask, hasQsar, hasRad, hasRefCt, hasRules, hasTol, hasXvol, merge, save, setHypoID, setRefCtTitle, updateSite, writeSummary

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

Properties

Inherited from PhaseHypothesis: property

Inherited from infra.phase.PhpHypoAdaptor: thisown

Inherited from object: __class__

Method Details

init(self, hypo_ID, standard_sites, reference_ligand, feature_defintions=None)
(Constructor)

Initializes a Phase hypothesis from phase.PhpHypoAdaptor

Parameters:

hypo_ID (str) - hypothesis ID
standard_sites (list of phase.PhpSite) - sites found in the reference structure
reference_ligand (MM_Index) - hypothesis reference ligand
feature_defintions (list of phase.PhpFeatureDefinition) - feature definitions used in the hypothesis

Overrides: object.__init__