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object --+
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??.instance --+
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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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Get the posistion of an atom
C++ signature:
GetAtomPosition(RDKit::Conformer const*, unsigned int) -> RDGeom::Point3D
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Get the ID of the conformer
C++ signature:
GetId(RDKit::Conformer {lvalue}) -> unsigned int
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Get the number of atoms in the conformer
C++ signature:
GetNumAtoms(RDKit::Conformer {lvalue}) -> unsigned int
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Get the owning molecule
C++ signature:
GetOwningMol(RDKit::Conformer {lvalue}) -> RDKit::ROMol
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returns the 3D flag of the conformer
C++ signature:
Is3D(RDKit::Conformer {lvalue}) -> bool
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Set the 3D flag of the conformer
C++ signature:
Set3D(RDKit::Conformer {lvalue}, bool) -> void*
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Set the position of the specified atom
C++ signature:
SetAtomPosition(RDKit::Conformer*, unsigned int, boost::python::api::object) -> void*
Set the position of the specified atom
C++ signature:
SetAtomPosition(RDKit::Conformer {lvalue}, unsigned int, RDGeom::Point3D) -> void*
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Set the ID of the conformer
C++ signature:
SetId(RDKit::Conformer {lvalue}, unsigned int) -> void*
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C++ signature:
__init__(_object*) -> void*
Constructor with the number of atoms specified
C++ signature:
__init__(_object*, unsigned int) -> void*
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