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

Class PhpSiteConstrainer

object --+
         |
        PhpSiteConstrainer

Proxy of C++ PhpSiteConstrainer class.

Instance Methods

[hide private]

__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, std::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, std::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 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, SwigSizetVector refSiteIndices, PhpLigand const & matchedLigand, size_t matchedConfIndex, SwigSizetVector 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, SwigSizetVector matchedSiteIndices, std::string & reason) -> bool

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

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