Package schrodinger :: Package infra :: Module phase :: Class PhpSiteConstrainer

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Class PhpSiteConstrainer

object --+
         |
        PhpSiteConstrainer

Proxy of C++ PhpSiteConstrainer class

Instance Methods

__repr__(self)
repr(x)

__init__(self, *args)
__init__(PhpSiteConstrainer self) -> PhpSiteConstrainer __init__(PhpSiteConstrainer self, PhpSiteConstrainer rhs) -> PhpSiteConstrainer

__swig_destroy__(...)
delete_PhpSiteConstrainer(PhpSiteConstrainer self)

addConstraint(...)
PhpSiteConstrainer_addConstraint(PhpSiteConstrainer self, PhpSiteConstraint constraint)

clear(...)
PhpSiteConstrainer_clear(PhpSiteConstrainer self)

exportConstraints(...)
exportConstraints(std::string const & outFile) PhpSiteConstrainer_exportConstraints(PhpSiteConstrainer self, ostream outStream)

std::vector< PhpSiteConstraint,std::allocator< PhpSiteConstraint > >

getConstraints()
PhpSiteConstrainer_getConstraints(PhpSiteConstrainer self, size_t numSites) -> std::vector< PhpSiteConstraint,std::allocator< PhpSiteConstraint > >

getConstraint(...)
PhpSiteConstrainer_getConstraint(PhpSiteConstrainer self, size_t i, size_t numSites) -> PhpSiteConstraint

getConstraintValue(...)
PhpSiteConstrainer_getConstraintValue(PhpSiteConstrainer self, std::vector< PhpSite,std::allocator< PhpSite > > const & sites) -> double

hasProjectedSites(...)
PhpSiteConstrainer_hasProjectedSites(PhpSiteConstrainer self) -> bool

importConstraints(...)
importConstraints(std::string const & inFile) PhpSiteConstrainer_importConstraints(PhpSiteConstrainer self, istream inStream)

size_t

numConstraints()
PhpSiteConstrainer_numConstraints(PhpSiteConstrainer self, size_t numSites) -> size_t

passes(...)
passes(std::vector< PhpSite,std::allocator< PhpSite > > const & sites, PhpSiteConstraint constraint) -> bool...

printConstraint(...)
PhpSiteConstrainer_printConstraint(PhpSiteConstrainer self, PhpSiteConstraint constraint, ostream outStream)

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__(PhpSiteConstrainer self) -> PhpSiteConstrainer __init__(PhpSiteConstrainer self, PhpSiteConstrainer rhs) -> PhpSiteConstrainer

Overrides: object.__init__

passes(...)


passes(std::vector< PhpSite,std::allocator< PhpSite > > const & sites, PhpSiteConstraint constraint) -> bool
passes(std::vector< PhpSite,std::allocator< PhpSite > > const & hypoSites, std::string & reason) -> bool
passes(std::vector< PhpSite,std::allocator< PhpSite > > const & hypoSites, PhpLigand const & refLigand, 
    size_t refConfIndex, std::string & reason) -> bool
passes(PhpLigand const & refLigand, size_t refConfIndex, std::vector< size_t,std::allocator< size_t > > const & refSiteIndices, 
    PhpLigand const & matchedLigand, size_t matchedConfIndex, 
    std::vector< size_t,std::allocator< size_t > > const & matchedSiteIndices, 
    std::vector< PhpSite,std::allocator< PhpSite > > & refSitesNeeded, 
    std::string & reason) -> bool
PhpSiteConstrainer_passes(PhpSiteConstrainer self, std::vector< PhpSite,std::allocator< PhpSite > > const & hypoSites, 
    bool checkHypoSites, PhpLigand const & matchedLigand, size_t matchedConfIndex, 
    std::vector< size_t,std::allocator< size_t > > const & matchedSiteIndices, 
    std::string & reason) -> bool

Property Details

thisown

The membership flag

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