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ViewerFramework.VFCommand.Command --+ | mvCommand.MVCommand --+ | ComputeGasteigerGUICommand
Calls computeGasteiger which does work of computing gasteiger partial charges for each atom and entering each atom's charge in its _charges dictionary. Package:Pmv Module :editCommands Class:ComputeGasteigerGUICommand Command:computeGasteigerGC Synopsis: None<---computeGasteigerGC(nodes, **kw) Required Arguments: nodes --- TreeNodeSet holding the current selection
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| __init__(self, func=None) | ||
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onAddCmdToViewer(self) method called when an instance of this command is added to the viewer. |
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doit(self,
nodes) virtual method. |
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__call__(self,
nodes,
**kw) None<---computeGasteigerGC(nodes, **kw) |
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| guiCallback(self) | ||
Inherited from Inherited from Inherited from |
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Inherited from |
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None<---computeGasteigerGC(nodes, **kw) nodes --- TreeNodeSet holding the current selection
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