Package rosetta :: Package core :: Package chemical :: Module _core_chemical_ :: Class Bond
[hide private]
[frames] | no frames]

Class Bond

 object --+    
          |    
??.instance --+
              |
             Bond

basic chemical Bond name, element, certain properties and parameters from .params file

Instance Methods [hide private]
 
GetMaximumElectrons(...)
GetMaximumElectrons( (Bond)arg1) -> int : core/chemical/Bond.hh:113
 
GetMinimumElectrons(...)
GetMinimumElectrons( (Bond)arg1) -> int : core/chemical/Bond.hh:112
 
GetNumberOfElectrons(...)
GetNumberOfElectrons( (Bond)arg1) -> int : core/chemical/Bond.hh:111
 
GetSDAltFileID(...)
GetSDAltFileID( (Bond)arg1) -> int : core/chemical/Bond.hh:120
 
GetSDFileID(...)
GetSDFileID( (Bond)arg1) -> int : core/chemical/Bond.hh:119
 
IsBondInRing(...)
IsBondInRing( (Bond)arg1) -> bool : core/chemical/Bond.hh:117
 
IsBondOrderKnown(...)
IsBondOrderKnown( (Bond)arg1) -> bool : core/chemical/Bond.hh:115
 
SetSDFType(...)
SetSDFType( (Bond)arg1, (int)SDF_ID) -> None : Reset the internal data such that it matches the appropriate value for the SDF datatype.
 
__init__(...)
__init__( (object)arg1) -> None :
 
__reduce__(...)
helper for pickle
 
__str__(...)
__str__( (Bond)arg1) -> object :
 
aromaticity(...)
aromaticity( (Bond)arg1, (BondAromaticity)aroma) -> None : core/chemical/Bond.hh:61
 
bond_name(...)
bond_name( (Bond)arg1, (BondName)bond_name) -> None : core/chemical/Bond.hh:51
 
conjugability(...)
conjugability( (Bond)arg1, (BondConjugability)conjug) -> None : core/chemical/Bond.hh:58
 
cut_bond(...)
cut_bond( (Bond)arg1, (bool)cut_bond) -> None : core/chemical/Bond.hh:53
 
distance(...)
distance( (Bond)arg1, (float)distance) -> None : core/chemical/Bond.hh:48
 
is_fake(...)
is_fake( (Bond)arg1) -> bool : Return true if this bond represents a non-physical bond
 
isometry(...)
isometry( (Bond)arg1, (BondIsometry)isom) -> None : core/chemical/Bond.hh:66
 
order(...)
order( (Bond)arg1, (BondOrder)order) -> None : core/chemical/Bond.hh:56
 
print(...)
print( (Bond)arg1, (OStream)out) -> None : core/chemical/Bond.hh:99
 
ringness(...)
ringness( (Bond)arg1, (BondRingness)ring) -> None : core/chemical/Bond.hh:63

Inherited from unreachable.instance: __new__

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

Class Variables [hide private]
  __instance_size__ = 32
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

GetMaximumElectrons(...)

 

GetMaximumElectrons( (Bond)arg1) -> int :
    core/chemical/Bond.hh:113

    C++ signature :
        unsigned long GetMaximumElectrons(core::chemical::Bond {lvalue})

GetMinimumElectrons(...)

 

GetMinimumElectrons( (Bond)arg1) -> int :
    core/chemical/Bond.hh:112

    C++ signature :
        unsigned long GetMinimumElectrons(core::chemical::Bond {lvalue})

GetNumberOfElectrons(...)

 

GetNumberOfElectrons( (Bond)arg1) -> int :
    core/chemical/Bond.hh:111

    C++ signature :
        unsigned long GetNumberOfElectrons(core::chemical::Bond {lvalue})

GetSDAltFileID(...)

 

GetSDAltFileID( (Bond)arg1) -> int :
    core/chemical/Bond.hh:120

    C++ signature :
        unsigned long GetSDAltFileID(core::chemical::Bond {lvalue})

GetSDFileID(...)

 

GetSDFileID( (Bond)arg1) -> int :
    core/chemical/Bond.hh:119

    C++ signature :
        unsigned long GetSDFileID(core::chemical::Bond {lvalue})

IsBondInRing(...)

 

IsBondInRing( (Bond)arg1) -> bool :
    core/chemical/Bond.hh:117

    C++ signature :
        bool IsBondInRing(core::chemical::Bond {lvalue})

IsBondOrderKnown(...)

 

IsBondOrderKnown( (Bond)arg1) -> bool :
    core/chemical/Bond.hh:115

    C++ signature :
        bool IsBondOrderKnown(core::chemical::Bond {lvalue})

SetSDFType(...)

 

SetSDFType( (Bond)arg1, (int)SDF_ID) -> None :
    Reset the internal data such that it matches the appropriate value for the SDF datatype.
    Substitution (taken from) for BCL's FindBondTypeFromSDFInfo( const std::size_t &SDF_ID)
    

    C++ signature :
        void SetSDFType(core::chemical::Bond {lvalue},unsigned long)

__init__(...)
(Constructor)

 

__init__( (object)arg1) -> None :

    C++ signature :
        void __init__(_object*)

__init__( (object)arg1, (Bond)) -> None :
    basic chemical Bond
    name, element, certain properties and parameters from .params file
    

    C++ signature :
        void __init__(_object*,core::chemical::Bond)

__init__( (object)arg1, (float)d, (BondName)name [, (bool)cut_bond=False]) -> None :
    core/chemical/Bond.hh:44

    C++ signature :
        void __init__(_object*,double,core::chemical::BondName [,bool=False])

__init__( (object)arg1, (float)d, (BondOrder)order, (BondConjugability)conj, (BondAromaticity)aroma [, (BondRingness)ring=rosetta.core.chemical._core_chemical_.BondRingness.UnknownRingness [, (BondIsometry)isom=rosetta.core.chemical._core_chemical_.BondIsometry.UnknownIsometry [, (bool)cut_bond=False]]]) -> None :
    core/chemical/Bond.hh:45

    C++ signature :
        void __init__(_object*,double,core::chemical::BondOrder,core::chemical::BondConjugability,core::chemical::BondAromaticity [,core::chemical::BondRingness=rosetta.core.chemical._core_chemical_.BondRingness.UnknownRingness [,core::chemical::BondIsometry=rosetta.core.chemical._core_chemical_.BondIsometry.UnknownIsometry [,bool=False]]])

Overrides: object.__init__

__reduce__(...)

 

helper for pickle

Overrides: object.__reduce__
(inherited documentation)

__str__(...)
(Informal representation operator)

 

__str__( (Bond)arg1) -> object :

    C++ signature :
        _object* __str__(core::chemical::Bond {lvalue})

Overrides: object.__str__

aromaticity(...)

 

aromaticity( (Bond)arg1, (BondAromaticity)aroma) -> None :
    core/chemical/Bond.hh:61

    C++ signature :
        void aromaticity(core::chemical::Bond {lvalue},core::chemical::BondAromaticity)

aromaticity( (Bond)arg1) -> BondAromaticity :
    core/chemical/Bond.hh:87

    C++ signature :
        core::chemical::BondAromaticity aromaticity(core::chemical::Bond {lvalue})

bond_name(...)

 

bond_name( (Bond)arg1, (BondName)bond_name) -> None :
    core/chemical/Bond.hh:51

    C++ signature :
        void bond_name(core::chemical::Bond {lvalue},core::chemical::BondName)

bond_name( (Bond)arg1) -> BondName :
    core/chemical/Bond.hh:75

    C++ signature :
        core::chemical::BondName bond_name(core::chemical::Bond {lvalue})

conjugability(...)

 

conjugability( (Bond)arg1, (BondConjugability)conjug) -> None :
    core/chemical/Bond.hh:58

    C++ signature :
        void conjugability(core::chemical::Bond {lvalue},core::chemical::BondConjugability)

conjugability( (Bond)arg1) -> BondConjugability :
    core/chemical/Bond.hh:84

    C++ signature :
        core::chemical::BondConjugability conjugability(core::chemical::Bond {lvalue})

cut_bond(...)

 

cut_bond( (Bond)arg1, (bool)cut_bond) -> None :
    core/chemical/Bond.hh:53

    C++ signature :
        void cut_bond(core::chemical::Bond {lvalue},bool)

cut_bond( (Bond)arg1) -> bool :
    core/chemical/Bond.hh:78

    C++ signature :
        bool cut_bond(core::chemical::Bond {lvalue})

distance(...)

 

distance( (Bond)arg1, (float)distance) -> None :
    core/chemical/Bond.hh:48

    C++ signature :
        void distance(core::chemical::Bond {lvalue},double)

distance( (Bond)arg1) -> float :
    core/chemical/Bond.hh:72

    C++ signature :
        double distance(core::chemical::Bond {lvalue})

is_fake(...)

 

is_fake( (Bond)arg1) -> bool :
    Return true if this bond represents a non-physical bond
    

    C++ signature :
        bool is_fake(core::chemical::Bond {lvalue})

isometry(...)

 

isometry( (Bond)arg1, (BondIsometry)isom) -> None :
    core/chemical/Bond.hh:66

    C++ signature :
        void isometry(core::chemical::Bond {lvalue},core::chemical::BondIsometry)

isometry( (Bond)arg1) -> BondIsometry :
    core/chemical/Bond.hh:93

    C++ signature :
        core::chemical::BondIsometry isometry(core::chemical::Bond {lvalue})

order(...)

 

order( (Bond)arg1, (BondOrder)order) -> None :
    core/chemical/Bond.hh:56

    C++ signature :
        void order(core::chemical::Bond {lvalue},core::chemical::BondOrder)

order( (Bond)arg1) -> BondOrder :
    core/chemical/Bond.hh:81

    C++ signature :
        core::chemical::BondOrder order(core::chemical::Bond {lvalue})

print(...)

 

print( (Bond)arg1, (OStream)out) -> None :
    core/chemical/Bond.hh:99

    C++ signature :
        void print(core::chemical::Bond {lvalue},std::ostream {lvalue})

ringness(...)

 

ringness( (Bond)arg1, (BondRingness)ring) -> None :
    core/chemical/Bond.hh:63

    C++ signature :
        void ringness(core::chemical::Bond {lvalue},core::chemical::BondRingness)

ringness( (Bond)arg1) -> BondRingness :
    core/chemical/Bond.hh:90

    C++ signature :
        core::chemical::BondRingness ringness(core::chemical::Bond {lvalue})