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ViewerFramework.VFCommand.Command --+ | mvCommand.MVCommand --+ | TypeAtomsCommand
This class uses the AtomHybridization class to assign atom types. Package:Pmv Module :editCommands Class:TypeAtomsCommand Command:typeAtoms Synopsis: None <--- typeAtoms(nodes, **kw) Required Arguments: nodes --- TreeNodeSet holding the current selection example: >>> atype = AtomHybridization() >>> atype.assignHybridization(atoms) atoms has to be a list of atom objects Atom: a .element : atom's chemical element symbol (string) a .coords : 3-sequence of floats a .bonds : list of Bond objects Bond: b .atom1 : instance of Atom b .atom2 : instance of Atom After completion each atom has the following additional members: babel_type: string babel_atomic_number: int babel_organic reimplementation of Babel1.6 in Python by Michel Sanner April 2000 Original code by W. Patrick Walters and Matthew T. Stahl
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doit(self,
nodes) virtual method. |
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__call__(self,
nodes,
**kw) None<---typeAtoms(nodes, **kw) |
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guiCallback(self) Default callback function called by the gui |
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Inherited from Inherited from Inherited from |
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Inherited from |
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None<---typeAtoms(nodes, **kw) nodes --- TreeNodeSet holding the current selection
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