Package rdkit :: Package Chem :: Module rdchem :: Class AtomPDBResidueInfo
[hide private]
[frames] | no frames]

Class AtomPDBResidueInfo

 object --+        
          |        
??.instance --+    
              |    
AtomMonomerInfo --+
                  |
                 AtomPDBResidueInfo

The class to store PDB residue information attached to Atoms

Instance Methods [hide private]
 
GetAltLoc(...)
GetAltLoc( (AtomPDBResidueInfo)arg1) -> str :
 
GetChainId(...)
GetChainId( (AtomPDBResidueInfo)arg1) -> str :
 
GetInsertionCode(...)
GetInsertionCode( (AtomPDBResidueInfo)arg1) -> str :
 
GetIsHeteroAtom(...)
GetIsHeteroAtom( (AtomPDBResidueInfo)arg1) -> bool :
 
GetOccupancy(...)
GetOccupancy( (AtomPDBResidueInfo)arg1) -> float :
 
GetResidueName(...)
GetResidueName( (AtomPDBResidueInfo)arg1) -> str :
 
GetResidueNumber(...)
GetResidueNumber( (AtomPDBResidueInfo)arg1) -> int :
 
GetSecondaryStructure(...)
GetSecondaryStructure( (AtomPDBResidueInfo)arg1) -> int :
 
GetSegmentNumber(...)
GetSegmentNumber( (AtomPDBResidueInfo)arg1) -> int :
 
GetSerialNumber(...)
GetSerialNumber( (AtomPDBResidueInfo)arg1) -> int :
 
GetTempFactor(...)
GetTempFactor( (AtomPDBResidueInfo)arg1) -> float :
 
SetAltLoc(...)
SetAltLoc( (AtomPDBResidueInfo)arg1, (str)arg2) -> None :
 
SetChainId(...)
SetChainId( (AtomPDBResidueInfo)arg1, (str)arg2) -> None :
 
SetInsertionCode(...)
SetInsertionCode( (AtomPDBResidueInfo)arg1, (str)arg2) -> None :
 
SetIsHeteroAtom(...)
SetIsHeteroAtom( (AtomPDBResidueInfo)arg1, (bool)arg2) -> None :
 
SetOccupancy(...)
SetOccupancy( (AtomPDBResidueInfo)arg1, (float)arg2) -> None :
 
SetResidueName(...)
SetResidueName( (AtomPDBResidueInfo)arg1, (str)arg2) -> None :
 
SetResidueNumber(...)
SetResidueNumber( (AtomPDBResidueInfo)arg1, (int)arg2) -> None :
 
SetSecondaryStructure(...)
SetSecondaryStructure( (AtomPDBResidueInfo)arg1, (int)arg2) -> None :
 
SetSegmentNumber(...)
SetSegmentNumber( (AtomPDBResidueInfo)arg1, (int)arg2) -> None :
 
SetSerialNumber(...)
SetSerialNumber( (AtomPDBResidueInfo)arg1, (int)arg2) -> None :
 
SetTempFactor(...)
SetTempFactor( (AtomPDBResidueInfo)arg1, (float)arg2) -> None :
 
__init__(...)
__init__( (object)arg1) -> None :

Inherited from AtomMonomerInfo: GetMonomerType, GetName, SetMonomerType, SetName, __reduce__

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__ = 120
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

GetAltLoc(...)

 

GetAltLoc( (AtomPDBResidueInfo)arg1) -> str :

    C++ signature :
        std::string GetAltLoc(RDKit::AtomPDBResidueInfo {lvalue})

GetChainId(...)

 

GetChainId( (AtomPDBResidueInfo)arg1) -> str :

    C++ signature :
        std::string GetChainId(RDKit::AtomPDBResidueInfo {lvalue})

GetInsertionCode(...)

 

GetInsertionCode( (AtomPDBResidueInfo)arg1) -> str :

    C++ signature :
        std::string GetInsertionCode(RDKit::AtomPDBResidueInfo {lvalue})

GetIsHeteroAtom(...)

 

GetIsHeteroAtom( (AtomPDBResidueInfo)arg1) -> bool :

    C++ signature :
        bool GetIsHeteroAtom(RDKit::AtomPDBResidueInfo {lvalue})

GetOccupancy(...)

 

GetOccupancy( (AtomPDBResidueInfo)arg1) -> float :

    C++ signature :
        double GetOccupancy(RDKit::AtomPDBResidueInfo {lvalue})

GetResidueName(...)

 

GetResidueName( (AtomPDBResidueInfo)arg1) -> str :

    C++ signature :
        std::string GetResidueName(RDKit::AtomPDBResidueInfo {lvalue})

GetResidueNumber(...)

 

GetResidueNumber( (AtomPDBResidueInfo)arg1) -> int :

    C++ signature :
        int GetResidueNumber(RDKit::AtomPDBResidueInfo {lvalue})

GetSecondaryStructure(...)

 

GetSecondaryStructure( (AtomPDBResidueInfo)arg1) -> int :

    C++ signature :
        unsigned int GetSecondaryStructure(RDKit::AtomPDBResidueInfo {lvalue})

GetSegmentNumber(...)

 

GetSegmentNumber( (AtomPDBResidueInfo)arg1) -> int :

    C++ signature :
        unsigned int GetSegmentNumber(RDKit::AtomPDBResidueInfo {lvalue})

GetSerialNumber(...)

 

GetSerialNumber( (AtomPDBResidueInfo)arg1) -> int :

    C++ signature :
        int GetSerialNumber(RDKit::AtomPDBResidueInfo {lvalue})

GetTempFactor(...)

 

GetTempFactor( (AtomPDBResidueInfo)arg1) -> float :

    C++ signature :
        double GetTempFactor(RDKit::AtomPDBResidueInfo {lvalue})

SetAltLoc(...)

 

SetAltLoc( (AtomPDBResidueInfo)arg1, (str)arg2) -> None :

    C++ signature :
        void SetAltLoc(RDKit::AtomPDBResidueInfo {lvalue},std::string)

SetChainId(...)

 

SetChainId( (AtomPDBResidueInfo)arg1, (str)arg2) -> None :

    C++ signature :
        void SetChainId(RDKit::AtomPDBResidueInfo {lvalue},std::string)

SetInsertionCode(...)

 

SetInsertionCode( (AtomPDBResidueInfo)arg1, (str)arg2) -> None :

    C++ signature :
        void SetInsertionCode(RDKit::AtomPDBResidueInfo {lvalue},std::string)

SetIsHeteroAtom(...)

 

SetIsHeteroAtom( (AtomPDBResidueInfo)arg1, (bool)arg2) -> None :

    C++ signature :
        void SetIsHeteroAtom(RDKit::AtomPDBResidueInfo {lvalue},bool)

SetOccupancy(...)

 

SetOccupancy( (AtomPDBResidueInfo)arg1, (float)arg2) -> None :

    C++ signature :
        void SetOccupancy(RDKit::AtomPDBResidueInfo {lvalue},double)

SetResidueName(...)

 

SetResidueName( (AtomPDBResidueInfo)arg1, (str)arg2) -> None :

    C++ signature :
        void SetResidueName(RDKit::AtomPDBResidueInfo {lvalue},std::string)

SetResidueNumber(...)

 

SetResidueNumber( (AtomPDBResidueInfo)arg1, (int)arg2) -> None :

    C++ signature :
        void SetResidueNumber(RDKit::AtomPDBResidueInfo {lvalue},int)

SetSecondaryStructure(...)

 

SetSecondaryStructure( (AtomPDBResidueInfo)arg1, (int)arg2) -> None :

    C++ signature :
        void SetSecondaryStructure(RDKit::AtomPDBResidueInfo {lvalue},unsigned int)

SetSegmentNumber(...)

 

SetSegmentNumber( (AtomPDBResidueInfo)arg1, (int)arg2) -> None :

    C++ signature :
        void SetSegmentNumber(RDKit::AtomPDBResidueInfo {lvalue},unsigned int)

SetSerialNumber(...)

 

SetSerialNumber( (AtomPDBResidueInfo)arg1, (int)arg2) -> None :

    C++ signature :
        void SetSerialNumber(RDKit::AtomPDBResidueInfo {lvalue},int)

SetTempFactor(...)

 

SetTempFactor( (AtomPDBResidueInfo)arg1, (float)arg2) -> None :

    C++ signature :
        void SetTempFactor(RDKit::AtomPDBResidueInfo {lvalue},double)

__init__(...)
(Constructor)

 

__init__( (object)arg1) -> None :

    C++ signature :
        void __init__(_object*)

__init__( (object)arg1, (str)atomName [, (int)serialNumber=1 [, (str)altLoc='' [, (str)residueName='' [, (int)residueNumber=0 [, (str)chainId='' [, (str)insertionCode='' [, (float)occupancy=1.0 [, (float)tempFactor=0.0 [, (bool)isHeteroAtom=False [, (int)secondaryStructure=0 [, (int)segmentNumber=0]]]]]]]]]]]) -> None :

    C++ signature :
        void __init__(_object*,std::string [,int=1 [,std::string='' [,std::string='' [,int=0 [,std::string='' [,std::string='' [,double=1.0 [,double=0.0 [,bool=False [,unsigned int=0 [,unsigned int=0]]]]]]]]]]])

Overrides: object.__init__