Package schrodinger :: Package application :: Package desmond :: Package packages :: Package msys :: Module _msys :: Class AnnotatedSystem

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Class AnnotatedSystem

 object --+    
          |    
??.instance --+
              |
             AnnotatedSystem

Instance Methods

[hide private]

__init__(...)
__init__( (object)arg1, (SystemPtr)arg2, (int)arg3) -> None :

__reduce__(...)
helper for pickle

atomAromatic(...)
atomAromatic( (AnnotatedSystem)arg1, (int)arg2) -> bool :

atomDegree(...)
atomDegree( (AnnotatedSystem)arg1, (int)arg2) -> int :

atomHcount(...)
atomHcount( (AnnotatedSystem)arg1, (int)arg2) -> int :

atomHybridization(...)
atomHybridization( (AnnotatedSystem)arg1, (int)arg2) -> int :

atomInRingSize(...)
atomInRingSize( (AnnotatedSystem)arg1, (int)arg2, (int)arg3) -> bool :

atomLoneElectrons(...)
atomLoneElectrons( (AnnotatedSystem)arg1, (int)arg2) -> int :

atomRingBonds(...)
atomRingBonds( (AnnotatedSystem)arg1, (int)arg2) -> int :

atomRingCount(...)
atomRingCount( (AnnotatedSystem)arg1, (int)arg2) -> int :

atomRings(...)
atomRings( (AnnotatedSystem)arg1, (int)arg2) -> list :

atomValence(...)
atomValence( (AnnotatedSystem)arg1, (int)arg2) -> int :

atoms(...)
atoms( (AnnotatedSystem)arg1) -> list :

bondAromatic(...)
bondAromatic( (AnnotatedSystem)arg1, (int)arg2) -> bool :

bondInRingSize(...)
bondInRingSize( (AnnotatedSystem)arg1, (int)arg2, (int)arg3) -> bool :

bondRingCount(...)
bondRingCount( (AnnotatedSystem)arg1, (int)arg2) -> int :

bondRings(...)
bondRings( (AnnotatedSystem)arg1, (int)arg2) -> list :

errors(...)
errors( (AnnotatedSystem)arg1) -> list :

ringCount(...)
ringCount( (AnnotatedSystem)arg1) -> int :

rings(...)
rings( (AnnotatedSystem)arg1) -> list :

Inherited from unreachable.instance: __new__

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

Class Variables

[hide private]

__instance_size__ = 136

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(...)
(Constructor)


__init__( (object)arg1, (SystemPtr)arg2, (int)arg3) -> None :

    C++ signature :
        void __init__(_object*,std::shared_ptr<desres::msys::System>,unsigned int)

Overrides: object.__init__

reduce(...)

helper for pickle

Overrides: object.__reduce__: (inherited documentation)

atomAromatic(...)


atomAromatic( (AnnotatedSystem)arg1, (int)arg2) -> bool :

    C++ signature :
        bool atomAromatic(desres::msys::AnnotatedSystem {lvalue},unsigned int)

atomDegree(...)


atomDegree( (AnnotatedSystem)arg1, (int)arg2) -> int :

    C++ signature :
        int atomDegree(desres::msys::AnnotatedSystem {lvalue},unsigned int)

atomHcount(...)


atomHcount( (AnnotatedSystem)arg1, (int)arg2) -> int :

    C++ signature :
        int atomHcount(desres::msys::AnnotatedSystem {lvalue},unsigned int)

atomHybridization(...)


atomHybridization( (AnnotatedSystem)arg1, (int)arg2) -> int :

    C++ signature :
        int atomHybridization(desres::msys::AnnotatedSystem {lvalue},unsigned int)

atomInRingSize(...)


atomInRingSize( (AnnotatedSystem)arg1, (int)arg2, (int)arg3) -> bool :

    C++ signature :
        bool atomInRingSize(desres::msys::AnnotatedSystem {lvalue},unsigned int,unsigned int)

atomLoneElectrons(...)


atomLoneElectrons( (AnnotatedSystem)arg1, (int)arg2) -> int :

    C++ signature :
        int atomLoneElectrons(desres::msys::AnnotatedSystem {lvalue},unsigned int)

atomRingBonds(...)


atomRingBonds( (AnnotatedSystem)arg1, (int)arg2) -> int :

    C++ signature :
        int atomRingBonds(desres::msys::AnnotatedSystem {lvalue},unsigned int)

atomRingCount(...)


atomRingCount( (AnnotatedSystem)arg1, (int)arg2) -> int :

    C++ signature :
        int atomRingCount(desres::msys::AnnotatedSystem {lvalue},unsigned int)

atomRings(...)


atomRings( (AnnotatedSystem)arg1, (int)arg2) -> list :

    C++ signature :
        boost::python::list atomRings(desres::msys::AnnotatedSystem,unsigned int)

atomValence(...)


atomValence( (AnnotatedSystem)arg1, (int)arg2) -> int :

    C++ signature :
        int atomValence(desres::msys::AnnotatedSystem {lvalue},unsigned int)

atoms(...)


atoms( (AnnotatedSystem)arg1) -> list :

    C++ signature :
        boost::python::list atoms(desres::msys::AnnotatedSystem)

bondAromatic(...)


bondAromatic( (AnnotatedSystem)arg1, (int)arg2) -> bool :

    C++ signature :
        bool bondAromatic(desres::msys::AnnotatedSystem {lvalue},unsigned int)

bondInRingSize(...)


bondInRingSize( (AnnotatedSystem)arg1, (int)arg2, (int)arg3) -> bool :

    C++ signature :
        bool bondInRingSize(desres::msys::AnnotatedSystem {lvalue},unsigned int,unsigned int)

bondRingCount(...)


bondRingCount( (AnnotatedSystem)arg1, (int)arg2) -> int :

    C++ signature :
        int bondRingCount(desres::msys::AnnotatedSystem {lvalue},unsigned int)

bondRings(...)


bondRings( (AnnotatedSystem)arg1, (int)arg2) -> list :

    C++ signature :
        boost::python::list bondRings(desres::msys::AnnotatedSystem,unsigned int)

errors(...)


errors( (AnnotatedSystem)arg1) -> list :

    C++ signature :
        boost::python::list errors(desres::msys::AnnotatedSystem)

ringCount(...)


ringCount( (AnnotatedSystem)arg1) -> int :

    C++ signature :
        int ringCount(desres::msys::AnnotatedSystem {lvalue})

rings(...)


rings( (AnnotatedSystem)arg1) -> list :

    C++ signature :
        boost::python::list rings(desres::msys::AnnotatedSystem)

Class AnnotatedSystem

__init__(...) (Constructor)

__reduce__(...)

atomAromatic(...)

atomDegree(...)

atomHcount(...)

atomHybridization(...)

atomInRingSize(...)

atomLoneElectrons(...)

atomRingBonds(...)

atomRingCount(...)

atomRings(...)

atomValence(...)

atoms(...)

bondAromatic(...)

bondInRingSize(...)

bondRingCount(...)

bondRings(...)

errors(...)

ringCount(...)

rings(...)

init(...)
(Constructor)

reduce(...)