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AddAtom(...)
AddAtom( (RWMol)mol, (Atom)atom) -> int :
add an atom, returns the index of the newly added atom |
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AddBond(...)
AddBond( (RWMol)mol, (int)beginAtomIdx, (int)endAtomIdx [, (BondType)order=rdkit.Chem.rdchem.BondType.UNSPECIFIED]) -> int :
add a bond, returns the new number of bonds |
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GetMol(...)
GetMol( (RWMol)arg1) -> Mol :
Returns a Mol (a normal molecule) |
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RemoveAtom(...)
RemoveAtom( (RWMol)arg1, (int)arg2) -> None :
Remove the specified atom from the molecule |
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RemoveBond(...)
RemoveBond( (RWMol)arg1, (int)arg2, (int)arg3) -> None :
Remove the specified bond from the molecule |
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ReplaceAtom(...)
ReplaceAtom( (RWMol)mol, (int)index, (Atom)newAtom) -> None :
replaces the specified atom with the provided one |
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__copy__(...)
__copy__( (AtomPairsParameters)arg1) -> object : |
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__deepcopy__(...)
__deepcopy__( (AtomPairsParameters)arg1, (dict)arg2) -> object : |
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__init__(...)
__init__( (object)arg1, (Mol)arg2) -> None :
Construct from a Mol |
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Inherited from Mol :
AddConformer ,
ClearComputedProps ,
ClearProp ,
Debug ,
GetAromaticAtoms ,
GetAtomWithIdx ,
GetAtoms ,
GetAtomsMatchingQuery ,
GetBondBetweenAtoms ,
GetBondWithIdx ,
GetBonds ,
GetBoolProp ,
GetConformer ,
GetConformers ,
GetDoubleProp ,
GetIntProp ,
GetNumAtoms ,
GetNumBonds ,
GetNumConformers ,
GetNumHeavyAtoms ,
GetProp ,
GetPropNames ,
GetPropsAsDict ,
GetRingInfo ,
GetSubstructMatch ,
GetSubstructMatches ,
GetUnsignedProp ,
HasProp ,
HasSubstructMatch ,
NeedsUpdatePropertyCache ,
RemoveAllConformers ,
RemoveConformer ,
SetBoolProp ,
SetDoubleProp ,
SetIntProp ,
SetProp ,
SetUnsignedProp ,
ToBinary ,
UpdatePropertyCache ,
__getinitargs__ ,
__reduce__
Inherited from unreachable.instance :
__new__
Inherited from object :
__delattr__ ,
__format__ ,
__getattribute__ ,
__hash__ ,
__reduce_ex__ ,
__repr__ ,
__setattr__ ,
__sizeof__ ,
__str__ ,
__subclasshook__
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