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object --+ | ??.instance --+ | Conformer
The class to store 2D or 3D conformation of a molecule
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Inherited from Inherited from |
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__instance_size__ = 16
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Inherited from |
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GetAtomPosition( (Conformer)arg1, (int)arg2) -> Point3D : Get the posistion of an atom C++ signature : RDGeom::Point3D GetAtomPosition(RDKit::Conformer const*,unsigned int) |
GetId( (Conformer)arg1) -> int : Get the ID of the conformer C++ signature : unsigned int GetId(RDKit::Conformer {lvalue}) |
GetNumAtoms( (Conformer)arg1) -> int : Get the number of atoms in the conformer C++ signature : unsigned int GetNumAtoms(RDKit::Conformer {lvalue}) |
GetOwningMol( (Conformer)arg1) -> Mol : Get the owning molecule C++ signature : RDKit::ROMol {lvalue} GetOwningMol(RDKit::Conformer {lvalue}) |
Is3D( (Conformer)arg1) -> bool : returns the 3D flag of the conformer C++ signature : bool Is3D(RDKit::Conformer {lvalue}) |
Set3D( (Conformer)arg1, (bool)arg2) -> None : Set the 3D flag of the conformer C++ signature : void Set3D(RDKit::Conformer {lvalue},bool) |
SetAtomPosition( (Conformer)arg1, (int)arg2, (AtomPairsParameters)arg3) -> None : Set the position of the specified atom C++ signature : void SetAtomPosition(RDKit::Conformer*,unsigned int,boost::python::api::object) SetAtomPosition( (Conformer)arg1, (int)arg2, (Point3D)arg3) -> None : Set the position of the specified atom C++ signature : void SetAtomPosition(RDKit::Conformer {lvalue},unsigned int,RDGeom::Point3D) |
SetId( (Conformer)arg1, (int)arg2) -> None : Set the ID of the conformer C++ signature : void SetId(RDKit::Conformer {lvalue},unsigned int) |
__init__( (object)arg1) -> None : C++ signature : void __init__(_object*) __init__( (object)arg1, (int)arg2) -> None : Constructor with the number of atoms specified C++ signature : void __init__(_object*,unsigned int) __init__( (object)arg1, (Conformer)arg2) -> None : C++ signature : void __init__(_object*,RDKit::Conformer)
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helper for pickle
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