Package schrodinger :: Package infra :: Module phase :: Class PhpHypoAdaptor

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Class PhpHypoAdaptor

object --+
         |
        PhpHypoAdaptor

Known Subclasses:

application.phase.hypothesis.PhaseHypothesis

Proxy of C++ PhpHypoAdaptor class

Instance Methods

__repr__(self)
repr(x)

__init__(self, *args)
__init__(PhpHypoAdaptor self, std::string const & hypoID, bool remap=False) -> PhpHypoAdaptor...

__swig_destroy__(...)
delete_PhpHypoAdaptor(PhpHypoAdaptor self)

addAttr(...)
PhpHypoAdaptor_addAttr(PhpHypoAdaptor self, std::string const & fileName, bool hydrogens=False)

addCnst(...)
PhpHypoAdaptor_addCnst(PhpHypoAdaptor self, PhpSiteConstrainer cnst)

addCt(...)
PhpHypoAdaptor_addCt(PhpHypoAdaptor self, MM_Index ctHandle, std::string const & role)

addIvol(...)
PhpHypoAdaptor_addIvol(PhpHypoAdaptor self, PhpExclVol ivol)

addMask(...)
PhpHypoAdaptor_addMask(PhpHypoAdaptor self, PhpSiteMask mask)

addProp(...)
addProp(std::string const & propName, std::string const & propValue) addProp(std::string const & propName, int propValue) PhpHypoAdaptor_addProp(PhpHypoAdaptor self, std::string const & propName, double propValue)

addQsar(...)
PhpHypoAdaptor_addQsar(PhpHypoAdaptor self, PhpQSAR qsar)

addRad(...)
PhpHypoAdaptor_addRad(PhpHypoAdaptor self, PhpFeatureData rad)

addRules(...)
PhpHypoAdaptor_addRules(PhpHypoAdaptor self, PhpFeatureRules rules)

addSite(...)
PhpHypoAdaptor_addSite(PhpHypoAdaptor self, PhpSite site)

addTol(...)
PhpHypoAdaptor_addTol(PhpHypoAdaptor self, PhpDeltaHypo tol)

addTolByType(...)
PhpHypoAdaptor_addTolByType(PhpHypoAdaptor self, PhpFeatureData tol)

addXvol(...)
PhpHypoAdaptor_addXvol(PhpHypoAdaptor self, PhpExclVol xvol, bool hydrogens=False)

buildAllAttr(...)
PhpHypoAdaptor_buildAllAttr(PhpHypoAdaptor self, bool mustExist=False)

convert(...)
PhpHypoAdaptor_convert(PhpHypoAdaptor self, std::vector< PhpFeatureDefinition,std::allocator< PhpFeatureDefinition > > const & fd)

convertToStatic(...)
convertToStatic(std::vector< PhpFeatureDefinition,std::allocator< PhpFeatureDefinition > > const & fd) PhpHypoAdaptor_convertToStatic(PhpHypoAdaptor self)

deleteAttr(...)
PhpHypoAdaptor_deleteAttr(PhpHypoAdaptor self, std::string const & name)

deleteSite(...)
PhpHypoAdaptor_deleteSite(PhpHypoAdaptor self, size_t siteIndex)

deleteSiteFast(...)
PhpHypoAdaptor_deleteSiteFast(PhpHypoAdaptor self, size_t siteIndex)

getAddCtCount(...)
PhpHypoAdaptor_getAddCtCount(PhpHypoAdaptor self) -> int

getAddCts(...)
PhpHypoAdaptor_getAddCts(PhpHypoAdaptor self) -> SwigIntVector

getCnst(...)
PhpHypoAdaptor_getCnst(PhpHypoAdaptor self) -> PhpSiteConstrainer

getFd(...)
PhpHypoAdaptor_getFd(PhpHypoAdaptor self) -> std::vector< PhpFeatureDefinition,std::allocator< PhpFeatureDefinition > >

getHypoCt(...)
PhpHypoAdaptor_getHypoCt(PhpHypoAdaptor self) -> MM_Index

getHypoID(...)
PhpHypoAdaptor_getHypoID(PhpHypoAdaptor self) -> std::string

getHypoSites(...)
PhpHypoAdaptor_getHypoSites(PhpHypoAdaptor self, bool wantProj=False) -> std::vector< PhpSite,std::allocator< PhpSite > >

getIvol(...)
PhpHypoAdaptor_getIvol(PhpHypoAdaptor self) -> PhpExclVol

getMask(...)
PhpHypoAdaptor_getMask(PhpHypoAdaptor self) -> PhpSiteMask

getProp(...)
PhpHypoAdaptor_getProp(PhpHypoAdaptor self, std::string const & propName) -> std::string

getQsar(...)
PhpHypoAdaptor_getQsar(PhpHypoAdaptor self) -> PhpQSAR

getRad(...)
PhpHypoAdaptor_getRad(PhpHypoAdaptor self) -> PhpFeatureData

getRefCt(...)
PhpHypoAdaptor_getRefCt(PhpHypoAdaptor self) -> MM_Index

getRefSites(...)
PhpHypoAdaptor_getRefSites(PhpHypoAdaptor self, bool wantProj=False, bool append=False) -> std::vector< PhpSite,std::allocator< PhpSite > >

getRules(...)
PhpHypoAdaptor_getRules(PhpHypoAdaptor self) -> PhpFeatureRules

getSite(...)
PhpHypoAdaptor_getSite(PhpHypoAdaptor self, size_t siteIndex) -> PhpSite

getSiteByDisplayName(...)
PhpHypoAdaptor_getSiteByDisplayName(PhpHypoAdaptor self, std::string const & displayName) -> PhpSite

getSiteCount(...)
PhpHypoAdaptor_getSiteCount(PhpHypoAdaptor self) -> int

getSiteIndexFromDisplayName(...)
PhpHypoAdaptor_getSiteIndexFromDisplayName(PhpHypoAdaptor self, std::string const & displayName) -> size_t

getSiteTypes(...)
PhpHypoAdaptor_getSiteTypes(PhpHypoAdaptor self) -> std::string

getSummary(...)
PhpHypoAdaptor_getSummary(PhpHypoAdaptor self, bool extended=False) -> std::string

getTol(...)
PhpHypoAdaptor_getTol(PhpHypoAdaptor self) -> PhpDeltaHypo

getXvol(...)
PhpHypoAdaptor_getXvol(PhpHypoAdaptor self) -> PhpExclVol

hasAddCts(...)
PhpHypoAdaptor_hasAddCts(PhpHypoAdaptor self) -> bool

hasCnst(...)
PhpHypoAdaptor_hasCnst(PhpHypoAdaptor self) -> bool

hasIvol(...)
PhpHypoAdaptor_hasIvol(PhpHypoAdaptor self) -> bool

hasMask(...)
PhpHypoAdaptor_hasMask(PhpHypoAdaptor self) -> bool

hasQsar(...)
PhpHypoAdaptor_hasQsar(PhpHypoAdaptor self) -> bool

hasRad(...)
PhpHypoAdaptor_hasRad(PhpHypoAdaptor self) -> bool

hasRefCt(...)
PhpHypoAdaptor_hasRefCt(PhpHypoAdaptor self) -> bool

hasRules(...)
PhpHypoAdaptor_hasRules(PhpHypoAdaptor self) -> bool

hasTol(...)
PhpHypoAdaptor_hasTol(PhpHypoAdaptor self) -> bool

hasXvol(...)
PhpHypoAdaptor_hasXvol(PhpHypoAdaptor self) -> bool

merge(...)
PhpHypoAdaptor_merge(PhpHypoAdaptor self, PhpHypoAdaptor rhs, double tol=PHASE_REDUN_TOL)

save(...)
PhpHypoAdaptor_save(PhpHypoAdaptor self, std::string const & hypoID, bool overwrite)

setHypoID(...)
PhpHypoAdaptor_setHypoID(PhpHypoAdaptor self, std::string const & hypoID)

setRefCtTitle(...)
PhpHypoAdaptor_setRefCtTitle(PhpHypoAdaptor self, std::string const & title)

updateSite(...)
PhpHypoAdaptor_updateSite(PhpHypoAdaptor self, size_t siteIndex, PhpSite site)

writeSummary(...)
PhpHypoAdaptor_writeSummary(PhpHypoAdaptor self, std::ostream & os, bool extended=False)

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

Properties

thisown
The membership flag

Inherited from object: __class__

Method Details

repr(self)
(Representation operator)

repr(x)

Overrides: object.__repr__: (inherited documentation)

init(self, args)
(Constructor)*


__init__(PhpHypoAdaptor self, std::string const & hypoID, bool remap=False) -> PhpHypoAdaptor
__init__(PhpHypoAdaptor self, std::string const & hypoID, std::vector< PhpSite,std::allocator< PhpSite > > const & sites, 
    std::vector< PhpFeatureDefinition,std::allocator< PhpFeatureDefinition > > const & fd) -> PhpHypoAdaptor
__init__(PhpHypoAdaptor self, std::string const & hypoID, std::vector< PhpSite,std::allocator< PhpSite > > const & sites, 
    std::vector< PhpFeatureDefinition,std::allocator< PhpFeatureDefinition > > const & fd, 
    MM_Index refCt, bool remap=False) -> PhpHypoAdaptor
__init__(PhpHypoAdaptor self, std::string const & hypoID, std::vector< PhpSite,std::allocator< PhpSite > > const & refCtSites, 
    std::vector< PhpSite,std::allocator< PhpSite > > const & staticSites, 
    std::vector< PhpFeatureDefinition,std::allocator< PhpFeatureDefinition > > const & fd, 
    MM_Index refCt) -> PhpHypoAdaptor
__init__(PhpHypoAdaptor self, std::string const & hypoID, std::string const & hypoArchive, MM_Index refCt) -> PhpHypoAdaptor
__init__(PhpHypoAdaptor self, MM_Index hypoCt) -> PhpHypoAdaptor
__init__(PhpHypoAdaptor self, MM_Index hypoCt, MM_Index refCt) -> PhpHypoAdaptor
__init__(PhpHypoAdaptor self, MM_Index hypoCt, MM_Index refCt, SwigIntVector addCts) -> PhpHypoAdaptor
__init__(PhpHypoAdaptor self, PhpHypoAdaptor rhs) -> PhpHypoAdaptor

Overrides: object.__init__

Property Details

thisown

The membership flag

Get Method:: unreachable(x)
Set Method:: unreachable(x, v)